Molecule FYI-1014837

Molecule Summary:

ID: FYI-1014837
Names:
InChIKey: PMATZTZNYRCHOR-QEXAXETASA-O
SMILES: C/C=C/CC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)[NH+](C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C

Received at FYIcenter.com on: 2025-05-29

Molecule ID: FYI-1014837 Edit

Molecule Structure InChIKey: PMATZTZNYRCHOR-QEXAXETASA-O

Molecule Structure SMILES String: C/C=C/CC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)[NH+](C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C

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FYI-1014837
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 85196  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014837-3D
FYIcenter.com

197197  0  0  1  0  0  0  0  0999 V2000
    2.5494   -0.8377    5.7515 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1876   -0.6203    5.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1304   -0.4886    4.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9384   -0.4784    4.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6832    0.2598    4.7383 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8128    1.6519    5.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5430   -0.3781    4.9554 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3574   -1.7125    5.3727 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5565    0.2132    5.1387 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.6421    0.3729    4.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8332    1.1136    3.7943 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4113    0.1853    5.4623 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4306    0.1291    5.5547 C   0  0  3  0  0  0  0  0  0  0  0  0
   19.8988   -1.0248    6.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6666   -0.9284    6.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.3079    4.3843    5.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3871    5.5810    5.7354 O   0  0  0  0  0  0  0  0  0  0  0  0
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   25.4877    4.5163    3.0724 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.8391    6.5573    2.4777 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.9642    7.7342    2.4516 C   0  0  3  0  0  0  0  0  0  0  0  0
   24.5899    9.0612    2.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4907   10.1477    2.7587 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1227    9.0737    4.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.6663    8.2166   -0.0872 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.3380    9.5080   -0.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7602    7.8680   -1.2216 C   0  0  3  0  0  0  0  0  0  0  0  0
   22.3286    6.3820   -1.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4199    5.3091   -1.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7372    3.9335   -1.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8956   10.1858   -1.4148 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3504    8.7292   -1.7397 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6390    7.4913   -1.8979 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.1752    7.7840   -1.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0295    6.7803   -3.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.5513    2.6452   -3.7962 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5971    2.9880   -1.3689 C   0  0  3  0  0  0  0  0  0  0  0  0
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   17.8349    3.6109    2.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1232    2.9984   -0.9932 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5055    1.9390   -0.9972 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3669    4.0107   -0.3585 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.8780    5.1506    0.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9552    4.2086   -0.8811 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.4719    3.5544   -2.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9332    3.7515   -2.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5426    5.2166   -2.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4765    2.9028   -3.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1071    3.8109    0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1322    4.7782    1.0406 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0242    2.4447    0.6131 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2265    1.4215   -0.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4193    2.1029    2.0227 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.4632    3.3554    2.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6848    4.1726    3.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0211    4.0079    2.9876 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7978    1.3321    4.2935 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7602    2.1844    5.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518   -0.9674    6.8172 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1691   -1.7746    5.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8820   -0.0184    5.4261 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7223    0.2600    3.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0951   -1.3563    3.6629 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6698   -0.6048    3.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4611   -1.9037    5.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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