Molecule FYI-1007119

Molecule Summary:

ID: FYI-1007119
Names:
InChIKey: AKIVNNCGYFGSER-UHFFFAOYSA-N
SMILES: CCC(C)C(NC(=O)C(NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(C)NC(=O)C(N)CO)C(C)C)C(C)O)C(C)O)C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCN)C(=O)O)C(C)O)C(C)C

Received at FYIcenter.com on: 2024-02-01

Molecule ID: FYI-1007119 Edit

Molecule Structure InChIKey: AKIVNNCGYFGSER-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C)C(NC(=O)C(NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(C)NC(=O)C(N)CO)C(C)C)C(C)O)C(C)O)C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(N

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FYI-1007119
FYIcenter.com

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157159  1  0  0  0  0
158156  1  0  0  0  0
159158  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007119-3D
FYIcenter.com

287287  0  0  1  0  0  0  0  0999 V2000
   14.3113    1.6787   -6.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6116    3.0688   -6.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1314    2.5568   -4.0289 C   0  0  3  0  0  0  0  0  0  0  0  0
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   12.4590    3.0578   -2.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7400    4.1898   -2.4099 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0579    1.0474    1.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4150   -0.0771    2.0626 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4844    0.1348    3.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0420   -3.7993    3.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2270   -3.6513    4.0351 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2533   -5.0797    2.3667 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.9514   -5.8288    3.3801 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3309   -5.7078    3.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0403   -5.0043    2.8585 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8443   -6.4701    4.8305 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.7067   -5.5595    5.9951 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6567   -4.6247    6.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.2270   -5.8263    9.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7319   -6.9742   10.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4291   -7.3723   10.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6602   -6.6835    9.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.4084   -3.9779    8.6859 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3929   -3.3410    9.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5938   -2.4478   10.2010 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4082   -3.8634   10.9697 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.3474   -2.7031   11.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4452   -3.0902   12.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4273   -1.5979   12.6681 S   0  0  0  0  0  0  0  0  0  0  0  0
   23.6709   -2.3085   13.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6716   -4.3167   12.1640 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.7972   -5.5808   12.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0166   -5.8500   14.0139 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.9983   -6.9750   13.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1529   -7.3618   14.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1597   -8.4805   14.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3939   -8.8318   15.9216 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4308   -9.8910   15.6567 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.9808   -6.2405   15.0501 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.7111   -6.0403   16.3975 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7073   -5.4283   16.7669 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7025   -6.6295   17.4362 C   0  0  3  0  0  0  0  0  0  0  0  0
   19.7797   -8.1497   17.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0064   -5.9667   17.3591 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.0521   -6.2617   18.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0098   -7.1769   19.0307 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3514   -5.4682   17.9692 C   0  0  3  0  0  0  0  0  0  0  0  0
   24.1066   -5.3047   19.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1918   -6.1899   17.0154 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.0354   -6.0486   15.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2095   -5.2671   15.1816 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0042   -6.8785   14.7807 C   0  0  3  0  0  0  0  0  0  0  0  0
   25.3268   -8.1739   15.4126 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.3713   -7.1011   13.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1716   -5.8714   12.7080 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0011   -7.7844    4.9459 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9189   -8.5385    3.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4838   -8.7893    5.9792 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8788   -5.6734    2.0130 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.1361   -4.8611    0.9534 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0424   -7.0029    1.5325 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3883   -0.5568    2.1439 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.1128   -1.0307    0.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9926    0.7700    2.5031 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0150    1.4542   -0.9774 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.1954    1.6482   -1.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5500    1.3500    0.3271 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3207    3.8588   -3.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5559    4.9033   -4.3947 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2625    3.7593   -2.8927 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3476    4.9270   -2.6929 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7341    5.4591   -4.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9204    6.7547   -3.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3652    7.1883   -5.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2563    6.8911   -5.6695 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3115    5.5282   -0.2621 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8650    4.8420    0.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7954    6.9402    1.1894 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1983    7.8845    2.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9689    7.3980    5.3188 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0766    6.1413    5.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7668    7.3436    6.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2020    7.3130    7.7657 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1465    7.3673    6.5754 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9679    7.1398    7.7689 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4129    5.6589    7.8623 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6531    4.7437    7.5434 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5079    4.2243    8.2441 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4897    3.5873    6.8364 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2331    3.5270    4.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5102    5.7164    5.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1120    2.8261    6.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0810    1.9161    6.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0431    2.2248    4.5993 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9377    0.7820   -6.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9355    2.5131   -5.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0028    2.2401   -6.8563 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3819    3.2960   -7.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9770    3.9552   -6.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
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139285  1  0  0  0  0
140286  1  0  0  0  0
140287  1  0  0  0  0
M  END
$$$$

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2024-02-11, 223👍, 0💬