Molecule FYI-1002214

A

Molecule Summary:

ID: FYI-1002214
Names:
InChIKey: ZNEZZONMADKYTB-VRCUBXEUSA-N
SMILES: C=C2C[C@](OC)([C@H](O)C(=O)N[C@@H](OC)C1C[C@@H](O)C(C)(C)[C@@H](C[C@@H](COC)OC)O1)O[C@H](C)[C@@H]2C

Received at FYIcenter.com on: 2023-02-05

Molecule ID: FYI-1002214 Edit

Molecule Structure InChIKey: ZNEZZONMADKYTB-VRCUBXEUSA-N

Molecule Structure SMILES String: C=C2C[C@](OC)([C@H](O)C(=O)N[C@@H](OC)C1C[C@@H](O)C(C)(C)[C@@H](C[C@@H](COC)OC)O1)O[C@H](C)[C@@H]2C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002214
FYIcenter.com

 80 81  0  0  1  0  0  0  0  0999 V2000
    8.6062   13.5008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0121   16.1533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6062    9.9643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6691   13.5008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7803    5.5436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4807    6.4277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7317   15.2691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4807    8.1960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    7.3118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5436    9.9643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749   16.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6062   15.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5436   15.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5436   13.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749   12.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1377   16.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9590   17.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1908   17.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749   10.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6691   15.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0121    5.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2004   16.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0121    7.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1279    4.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7803    2.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6645    4.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5436    8.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0121    2.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6645    0.9496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4328    4.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6062    8.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2004   12.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1279    0.9496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9494    5.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2632   16.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5558   14.7209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5436   16.3655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4639   13.6913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1685   12.4706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3765   11.8652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8424   16.9932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4329   16.9932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9084   17.1364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5072   18.6342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0096   18.2328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1401   18.2328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6426   18.6342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2414   17.1364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    9.7521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7195   14.7209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0627   15.6051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5940   10.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9051   16.9932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4957   16.9932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0121    8.4082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2882    4.7169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2882    3.3076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8767    2.4809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2126    4.9616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7151    0.4014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2126    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6140    1.4977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4328    2.9159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5291    4.0122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4328    5.1086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5099    8.1960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6062    7.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7026    8.1960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6522   11.6673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1498   12.0685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7486   13.5663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4807    9.2923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0316    0.9496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6761    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4012    6.4931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4976    4.5942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8114   15.2039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2126   16.7014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7151   17.1028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
 13  2  1  1  0  0  0
  2 51  1  0  0  0  0
 19  3  1  6  0  0  0
  3 31  1  0  0  0  0
 20  4  1  1  0  0  0
  4 32  1  0  0  0  0
  5 21  1  0  0  0  0
  5 26  1  0  0  0  0
 21  6  1  1  0  0  0
  6 34  1  0  0  0  0
  7 22  1  0  0  0  0
  7 35  1  0  0  0  0
 23  8  1  6  0  0  0
  8 72  1  0  0  0  0
  9 27  2  0  0  0  0
 10 19  1  0  0  0  0
 10 27  1  0  0  0  0
 10 52  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 16  1  1  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 19  1  0  0  0  0
 15 40  1  1  0  0  0
 16 20  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 22  1  0  0  0  0
 20 50  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 27  1  0  0  0  0
 23 55  1  0  0  0  0
 24 28  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  6  0  0  0
 25 58  1  0  0  0  0
 26 30  1  6  0  0  0
 26 59  1  0  0  0  0
 28 33  2  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 29 62  1  0  0  0  0
 30 63  1  0  0  0  0
 30 64  1  0  0  0  0
 30 65  1  0  0  0  0
 31 66  1  0  0  0  0
 31 67  1  0  0  0  0
 31 68  1  0  0  0  0
 32 69  1  0  0  0  0
 32 70  1  0  0  0  0
 32 71  1  0  0  0  0
 33 73  1  0  0  0  0
 33 74  1  0  0  0  0
 34 75  1  0  0  0  0
 34 76  1  0  0  0  0
 34 77  1  0  0  0  0
 35 78  1  0  0  0  0
 35 79  1  0  0  0  0
 35 80  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002214-3D
FYIcenter.com

 80 81  0     1  0  0  0  0  0999 V2000
   -1.8629    0.0184   -0.2960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0164   -2.9630    1.6812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3792    2.2595    1.1926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8654    0.2313    0.8578 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8567   -0.3123   -0.7815 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4616    1.0646   -1.8743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6829    1.9438   -1.3843 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3955    3.2609   -0.7024 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    2.5292    1.5739 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5663    1.3261    0.2603 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8766   -2.4168   -0.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6885   -1.0861   -0.6961 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1118   -2.6085    0.6353 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3579   -1.3428    1.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2671   -0.1135    0.9964 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9980   -1.0796    0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8433   -2.3421   -1.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7860   -3.6292   -0.9836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4719    1.1589    1.2641 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6844    0.2839    0.0579 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6455    0.8856   -0.7139 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0767    0.6556   -1.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6564    2.0511   -0.7166 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4937    0.9277    0.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4084   -1.6196    0.5976 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6426   -1.5116   -0.7378 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7507    2.0035    0.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2464   -0.3672    0.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4968   -1.8040    1.8167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6995   -2.6843   -0.9846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1393    2.4235    2.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5600    0.3610    2.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5643   -0.4051    1.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8091    0.5853   -3.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0796    2.3159   -2.6963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9430   -0.8947   -1.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4042   -3.4414    0.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4892   -1.2107    0.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0440   -1.4540    2.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0578   -0.2204    1.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8170   -1.3787    1.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6903   -1.8325   -0.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1857   -1.4715   -1.7722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3461   -2.2731   -2.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2161   -3.2401   -1.8787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5187   -3.7965   -0.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1942   -4.5475   -1.0733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3376   -3.4975   -1.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0071    1.1299    2.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0372    1.0784    0.4468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4928   -3.1074    2.4876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3743    0.9895   -0.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7962   -0.0735   -1.7619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2072    0.6950   -2.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0307    2.0767   -1.6137 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8876    1.0378    1.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2010    1.7650    0.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0635   -2.4996    0.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3800   -1.5165   -1.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7170   -1.0372    1.8695 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -2.7814    1.7934 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0746   -1.7583    2.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9050   -2.7439   -0.2402 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2137   -2.5728   -1.9597 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2460   -3.6326   -0.9807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8124    3.2734    2.2403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4775    2.6496    3.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7445    1.5460    2.6137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9245   -0.4463    2.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1014    1.3331    2.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5022    0.3187    2.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8220    3.3609    0.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1473    0.5049    1.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0888   -1.3478    1.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0861   -0.4488   -3.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7204    0.6884   -3.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1832    1.1770   -3.8805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2119    2.3661   -3.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8167    1.6095   -3.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5387    3.3070   -2.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2 13  1  0  0  0  0
  2 51  1  0  0  0  0
  3 19  1  0  0  0  0
  3 31  1  0  0  0  0
  4 20  1  0  0  0  0
  4 32  1  0  0  0  0
  5 21  1  0  0  0  0
  5 26  1  0  0  0  0
  6 21  1  0  0  0  0
  6 34  1  0  0  0  0
  7 22  1  0  0  0  0
  7 35  1  0  0  0  0
  8 23  1  0  0  0  0
  8 72  1  0  0  0  0
  9 27  2  0  0  0  0
 10 19  1  0  0  0  0
 10 27  1  0  0  0  0
 10 52  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 16  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 19  1  0  0  0  0
 15 40  1  0  0  0  0
 16 20  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 22  1  0  0  0  0
 20 50  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 27  1  0  0  0  0
 23 55  1  0  0  0  0
 24 28  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 25 58  1  0  0  0  0
 26 30  1  0  0  0  0
 26 59  1  0  0  0  0
 28 33  2  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 29 62  1  0  0  0  0
 30 63  1  0  0  0  0
 30 64  1  0  0  0  0
 30 65  1  0  0  0  0
 31 66  1  0  0  0  0
 31 67  1  0  0  0  0
 31 68  1  0  0  0  0
 32 69  1  0  0  0  0
 32 70  1  0  0  0  0
 32 71  1  0  0  0  0
 33 73  1  0  0  0  0
 33 74  1  0  0  0  0
 34 75  1  0  0  0  0
 34 76  1  0  0  0  0
 34 77  1  0  0  0  0
 35 78  1  0  0  0  0
 35 79  1  0  0  0  0
 35 80  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-28, 1586👍, 0💬