Molecule FYI-1013601

A

Molecule Summary:

ID: FYI-1013601
Names:
InChIKey: QCIDOEAESDHGMR-IBGZPJMESA-N
SMILES: O=C(O)c2cc(c1ccncc1)sc2NC(=O)[C@H](Cc3ccccc3)NCc4cncs4

Received at FYIcenter.com on: 2025-01-16

Molecule ID: FYI-1013601 Edit

Molecule Structure InChIKey: QCIDOEAESDHGMR-IBGZPJMESA-N

Molecule Structure SMILES String: O=C(O)c2cc(c1ccncc1)sc2NC(=O)[C@H](Cc3ccccc3)NCc4cncs4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013601
FYIcenter.com

 32 35  0  0  1  0  0  0  0  0999 V2000
   10.0201    8.3960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0605    7.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3920    7.8918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7694    6.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7061    5.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0061    3.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5757    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9680    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5373    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3221    0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7527    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6368    4.1281    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    5.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    6.2204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    5.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9369    6.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    4.1281    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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 14  4  2  0  0  0  0
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 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 32 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013601-3D
FYIcenter.com

 52 55  0     1  0  0  0  0  0999 V2000
    1.6758    0.9517   -0.3865 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2701    3.9809    0.7279 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0133    0.8994   -1.2034 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9315   -2.4643    2.8584 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7198   -2.6205    2.3580 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2999   -0.6533    0.4047 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7241    3.4961    0.0757 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3404    3.3389   -1.0703 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0757   -0.3538    0.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0590   -0.9337    1.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2554    0.7440    0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3217   -0.2975    1.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2645   -3.9723   -1.6083 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 32  2  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
 32 51  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1180👍, 0💬