Molecule FYI-1013830

A

Molecule Summary:

ID: FYI-1013830
Names:
InChIKey: YFRYHOGNZSLGHK-CMOCDZPBSA-N
SMILES: CC(C)C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O

Received at FYIcenter.com on: 2025-01-30

Molecule ID: FYI-1013830 Edit

Molecule Structure InChIKey: YFRYHOGNZSLGHK-CMOCDZPBSA-N

Molecule Structure SMILES String: CC(C)C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013830
FYIcenter.com

 37 38  0  0  1  0  0  0  0  0999 V2000
    7.5467    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1840    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9716    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9716    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1840    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1840    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3964    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7591    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7591    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5467    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3343    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1218    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9094    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6969    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4845    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5467    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7591    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0380    7.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9748    8.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2748   10.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9054    9.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8650   10.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5335   10.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4931   11.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7843   12.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7439   13.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1157   13.0353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1616   10.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1213   11.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7898   11.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7494   12.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405   13.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.5478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3720   14.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4124   13.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1561   12.0985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3343    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  3  2  1  1  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  1  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 17  1  0  0  0  0
 21 22  1  6  0  0  0
 23 22  1  0  0  0  0
 24 23  1  1  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  2  0  0  0  0
 28 24  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 32  1  0  0  0  0
 35 34  2  0  0  0  0
 35 29  1  0  0  0  0
 36 22  2  0  0  0  0
 37 16  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013830-3D
FYIcenter.com

 78 79  0  0  1  0  0  0  0  0999 V2000
    7.6767   -0.9966    0.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8018   -2.2317    1.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0103   -2.7771    2.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2956   -1.9738    0.8283 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8766   -1.4661   -0.5589 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4091   -1.2499   -0.5454 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -2.5167   -1.6509 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3906   -3.3842   -1.9744 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4462   -2.4152   -2.2321 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8614   -3.2925   -3.3527 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3844   -2.6365   -4.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9508   -1.2370   -4.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4190   -0.6271   -6.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0186    0.7642   -6.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5392    1.3660   -7.6508 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3816   -3.6915   -3.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0371   -3.2131   -2.2567 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9806   -4.6356   -4.0179 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4263   -5.3480   -5.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7053   -6.8023   -4.8248 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0581   -6.7772   -4.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2265   -5.3299   -3.6006 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5408   -4.7607   -4.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6349   -5.2708   -3.9813 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3861   -3.6933   -5.0432 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4905   -3.0306   -5.7356 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2026   -3.9327   -6.7541 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3519   -4.4598   -7.8868 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1873   -3.7450   -9.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5430   -4.3345  -10.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0870   -5.6450  -10.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5374   -6.3005  -11.1344 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1910   -6.3409   -8.8777 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7870   -5.7359   -7.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9441   -1.7536   -6.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7787   -1.4106   -6.3443 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8824   -1.0059   -7.0353 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7041   -1.1930    1.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2986   -0.1437    1.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7341   -0.7030   -0.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1410   -3.0111    0.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6874   -2.0477    3.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0649   -3.0105    2.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4345   -3.6968    2.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9510   -1.2602    1.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7663   -2.9172    1.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3473   -0.5089   -0.7898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9669   -2.1741   -0.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1154   -0.9418   -1.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0511   -1.6423   -2.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3087   -4.2318   -3.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2888   -2.5416   -4.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5918   -3.2702   -5.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0440   -1.2846   -4.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6745   -0.5678   -4.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3241   -0.5590   -6.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6721   -1.2765   -7.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1118    0.6998   -6.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7438    1.4126   -5.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8211    0.7844   -8.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0094    2.2613   -7.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0076   -5.0464   -6.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3724   -5.1604   -5.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7059   -7.4470   -5.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9415   -7.1771   -4.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8520   -7.0780   -4.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0727   -7.5005   -3.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3281   -5.3121   -2.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4709   -3.2474   -5.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2053   -2.7206   -4.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6520   -4.7925   -6.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0635   -3.4108   -7.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5819   -2.7373   -9.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4334   -3.7713  -11.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5686   -5.7209  -11.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8389   -7.3660   -8.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8557   -6.2868   -6.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8003   -1.3354   -6.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 41  1  0  0  0  0
  3 42  1  0  0  0  0
  3 43  1  0  0  0  0
  3 44  1  0  0  0  0
  4 45  1  0  0  0  0
  4 46  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  4  1  0  0  0  0
  5 47  1  6  0  0  0
  6 48  1  0  0  0  0
  6 49  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 50  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 10 51  1  1  0  0  0
 11 12  1  0  0  0  0
 11 52  1  0  0  0  0
 11 53  1  0  0  0  0
 12 13  1  0  0  0  0
 12 54  1  0  0  0  0
 12 55  1  0  0  0  0
 13 14  1  0  0  0  0
 13 56  1  0  0  0  0
 13 57  1  0  0  0  0
 14 15  1  0  0  0  0
 14 58  1  0  0  0  0
 14 59  1  0  0  0  0
 15 60  1  0  0  0  0
 15 61  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 19 62  1  0  0  0  0
 19 63  1  0  0  0  0
 20 21  1  0  0  0  0
 20 64  1  0  0  0  0
 20 65  1  0  0  0  0
 21 22  1  0  0  0  0
 21 66  1  0  0  0  0
 21 67  1  0  0  0  0
 22 23  1  0  0  0  0
 22 68  1  1  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 69  1  0  0  0  0
 26 27  1  0  0  0  0
 26 35  1  0  0  0  0
 26 70  1  1  0  0  0
 27 28  1  0  0  0  0
 27 71  1  0  0  0  0
 27 72  1  0  0  0  0
 28 29  1  0  0  0  0
 28 34  2  0  0  0  0
 29 30  2  0  0  0  0
 29 73  1  0  0  0  0
 30 31  1  0  0  0  0
 30 74  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 75  1  0  0  0  0
 33 34  1  0  0  0  0
 33 76  1  0  0  0  0
 34 77  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 78  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 1271👍, 0💬