Molecule FYI-1010763

A

Molecule Summary:

ID: FYI-1010763
Names:
InChIKey: XAFVAXJSLRHROK-HQURSRCASA-N
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(CO)[C@H](CCc3nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)O)cs3)C(C)C

Received at FYIcenter.com on: 2024-07-13

Molecule ID: FYI-1010763 Edit

Molecule Structure InChIKey: XAFVAXJSLRHROK-HQURSRCASA-N

Molecule Structure SMILES String: CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(CO)[C@H](CCc3nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)O)cs3)C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1010763
FYIcenter.com

 49 51  0  0  1  0  0  0  0  0999 V2000
   20.9123    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6999    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4875    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4875    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2751    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0625    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0625    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8501    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8501    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0625    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6377    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4253    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2128    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0004    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7215    6.8694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7846    5.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4846    4.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8541    4.9077    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3923    5.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5694    4.8427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8229    7.2544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4304    7.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    8.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6840    9.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1146   11.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9374   12.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3298   12.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8992   10.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0763    9.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1526   13.2101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077    6.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    6.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458    7.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3924    5.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    4.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6377    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8501    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4253    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2751    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4875    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6999    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4875    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6999    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6999    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2751    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2751    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0625    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  1  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  6  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  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  6  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
 30 27  1  0  0  0  0
 31 22  1  0  0  0  0
 32 31  1  0  0  0  0
 32 33  1  1  0  0  0
 34 32  1  0  0  0  0
 35 34  2  0  0  0  0
 36 34  1  0  0  0  0
 37 11  1  0  0  0  0
 38 37  1  0  0  0  0
 39 37  1  0  0  0  0
  5 40  1  6  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 43 41  1  1  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 48 43  1  0  0  0  0
 49 48  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-07-25, 1068👍, 0💬