Molecule FYI-1016516

A

Molecule Summary:

ID: FYI-1016516
Names:
InChIKey: XTIRNYJBVWIBGX-LLINQDLYSA-N
SMILES: CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCCN)C(=O)O

Received at FYIcenter.com on: 2026-01-15

Molecule ID: FYI-1016516 Edit

Molecule Structure InChIKey: XTIRNYJBVWIBGX-LLINQDLYSA-N

Molecule Structure SMILES String: CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCCN)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016516
FYIcenter.com

 50 50  0  0  1  0  0  0  0  0999 V2000
   28.0324    6.2924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.1650    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1018    5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4018    6.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 21  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  1  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  1  0  0  0
 11 21  2  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  1  0  0  0
 21 47  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 20  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  6  0  0  0
 30 39  1  0  0  0  0
 31 29  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
 35 29  1  0  0  0  0
 36 35  2  0  0  0  0
 37 35  1  0  0  0  0
 38 37  1  1  0  0  0
 39 48  1  0  0  0  0
 40 38  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 44 38  1  0  0  0  0
 45 44  2  0  0  0  0
 46 44  1  0  0  0  0
 47 46  1  1  0  0  0
 48 50  1  0  0  0  0
 49 47  1  0  0  0  0
 50 49  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016516-3D
FYIcenter.com

104104  0  0  1  0  0  0  0  0999 V2000
   14.9886   16.6018    0.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0140   18.1176    0.2541 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5729   18.6224   -1.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1707   17.6140   -2.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6297   18.0349   -3.8692 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.2072   17.0232   -4.8302 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0287   17.0541   -5.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2326   17.9945   -5.4828 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7865   15.8389   -6.4486 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2947   15.5485   -6.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7050   15.2556   -5.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7508   14.1592   -4.6823 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2198   16.3482   -4.5892 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4866   14.6656   -5.9258 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7999   14.3984   -6.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4544   15.0654   -6.9754 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3843   13.2324   -5.3376 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8067   12.0969   -6.2827 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7962   12.4726   -7.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1078   13.0558   -6.8961 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1036   11.2465   -8.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3850   12.7501   -4.3488 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2136   13.2874   -3.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8792   14.2226   -2.6678 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0717   12.6063   -2.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4997   11.4268   -1.5391 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9774   10.3054   -2.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0786   10.2602   -3.4152 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4269    9.1528   -1.2614 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.5090    9.6347   -0.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9279    8.0358   -2.0495 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8009    6.7243   -1.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2765    6.3938   -0.5991 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3451    5.6966   -2.6643 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.4769    4.8736   -2.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1682    4.3259   -3.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9357    5.3772   -4.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9761    6.3428   -3.8443 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1688   18.1539   -3.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7242   19.2364   -4.0911 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8777   16.9849   -3.7408 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3346   16.9909   -3.7732 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.9254   17.2781   -2.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4510   17.3068   -2.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0036   17.5788   -1.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5213   17.5640   -1.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9782   17.8501    0.2817 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.8319   15.6303   -4.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5928   14.5689   -3.7269 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5694   15.7123   -5.4114 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8110   16.1574    1.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0551   16.8195    0.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6842   15.8723   -0.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6591   18.7410   -1.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1379   19.6013   -1.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0834   17.4611   -2.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6107   16.6397   -2.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1932   18.9954   -4.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6908   16.1382   -4.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1952   16.0922   -7.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7519   16.3780   -7.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1201   14.6700   -7.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3982   17.1975   -5.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0982   14.2191   -5.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2296   13.6362   -4.7734 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2392   11.2848   -5.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9027   11.6813   -6.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3282   13.2017   -8.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6768   12.3109   -6.3303 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9366   13.9180   -6.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7330   13.3936   -7.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6461   10.4954   -7.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7223   11.5275   -9.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1831   10.7944   -8.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1296   11.7603   -4.4085 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2461   12.3410   -2.9465 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6921   13.3328   -1.5511 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0898   11.2898   -0.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5486    8.8158   -0.6977 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3948    9.9659   -0.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8180    8.8322    0.3729 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1648   10.4775    0.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5889    8.2071   -2.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5131    5.0617   -2.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1229    4.0702   -1.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1621    5.5031   -1.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6965    3.3810   -3.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2313    4.1319   -3.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5577    4.9115   -5.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8680    5.8954   -4.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2574    6.5595   -4.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4190   16.1332   -3.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6600   17.7744   -4.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5890   16.5264   -1.6652 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5590   18.2466   -2.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7904   18.0866   -3.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8492   16.3528   -2.7984 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6358   16.8158   -0.3465 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6360   18.5496   -0.6906 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9130   18.3100   -1.7694 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8843   16.5829   -1.3956 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1452   18.8513    0.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.8648   17.3851    0.4601 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6129   16.5998   -5.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 51  1  0  0  0  0
  1 52  1  0  0  0  0
  1 53  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 54  1  0  0  0  0
  3 55  1  0  0  0  0
  4 56  1  0  0  0  0
  4 57  1  0  0  0  0
  5 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5  4  1  0  0  0  0
  5 58  1  6  0  0  0
  6  7  1  0  0  0  0
  6 59  1  0  0  0  0
  7  8  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9  7  1  0  0  0  0
  9 60  1  6  0  0  0
 10 11  1  0  0  0  0
 10 61  1  0  0  0  0
 10 62  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 63  1  0  0  0  0
 14 15  1  0  0  0  0
 14 64  1  0  0  0  0
 15 16  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 15  1  0  0  0  0
 17 65  1  1  0  0  0
 18 19  1  0  0  0  0
 18 66  1  0  0  0  0
 18 67  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 68  1  0  0  0  0
 20 69  1  0  0  0  0
 20 70  1  0  0  0  0
 20 71  1  0  0  0  0
 21 72  1  0  0  0  0
 21 73  1  0  0  0  0
 21 74  1  0  0  0  0
 22 23  1  0  0  0  0
 22 75  1  0  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 76  1  0  0  0  0
 25 77  1  0  0  0  0
 26 27  1  0  0  0  0
 26 78  1  0  0  0  0
 27 28  2  0  0  0  0
 29 31  1  0  0  0  0
 29 30  1  0  0  0  0
 29 27  1  0  0  0  0
 29 79  1  1  0  0  0
 30 80  1  0  0  0  0
 30 81  1  0  0  0  0
 30 82  1  0  0  0  0
 31 32  1  0  0  0  0
 31 83  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 38  1  0  0  0  0
 34 84  1  6  0  0  0
 35 36  1  0  0  0  0
 35 85  1  0  0  0  0
 35 86  1  0  0  0  0
 36 37  1  0  0  0  0
 36 87  1  0  0  0  0
 36 88  1  0  0  0  0
 37 38  1  0  0  0  0
 37 89  1  0  0  0  0
 37 90  1  0  0  0  0
 38 91  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 92  1  0  0  0  0
 42 43  1  0  0  0  0
 42 48  1  0  0  0  0
 42 93  1  6  0  0  0
 43 44  1  0  0  0  0
 43 94  1  0  0  0  0
 43 95  1  0  0  0  0
 44 45  1  0  0  0  0
 44 96  1  0  0  0  0
 44 97  1  0  0  0  0
 45 46  1  0  0  0  0
 45 98  1  0  0  0  0
 45 99  1  0  0  0  0
 46 47  1  0  0  0  0
 46100  1  0  0  0  0
 46101  1  0  0  0  0
 47102  1  0  0  0  0
 47103  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
 50104  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-02-02, 704👍, 0💬