Molecule FYI-1001271

A

Molecule Summary:

ID: FYI-1001271
SMILES: CC1=C2C=CC=C(C2=C(C3=C1[C@@H](OC3=O)[C@H]4[C@@H](C(=C(C(=O)[C@H]4O)C(=O)N)O)N(C)C)O)O

Received at FYIcenter.com on: 2022-04-22

Molecule ID: FYI-1001271 Edit

Molecule Structure SMILES String: CC1=C2C=CC=C(C2=C(C3=C1[C@@H](OC3=O)[C@H]4[C@@H](C(=C(C(=O)[C@H]4O)C(=O)N)O)N(C)C)O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001271
FYIcenter.com

 32 35  0  0  1  0  0  0  0  0999 V2000
    2.8104    5.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2430    6.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    7.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    7.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 28  1  0  0  0  0
 31  9  1  0  0  0  0
 32  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001271-3D
FYIcenter.com

 54 57  0  0  1  0  0  0  0  0999 V2000
    2.2592   -0.4410    1.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379    0.5430    0.9482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2573    0.1408    0.9833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7075   -1.1446    1.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0536   -1.5331    1.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0227   -0.6353    0.9264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6298    0.6352    0.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2726    1.0443    0.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8643    2.2475   -0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4335    3.1114   -2.5982 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3302    3.7043   -0.1856 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5885    4.3478    1.1993 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0568    4.7803    0.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7688    4.5203   -0.8155 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6504    4.6523   -1.6736 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4354    3.9496   -1.2388 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2022-05-01, 290👍, 0💬