Name: FK 224
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317847
Cas No:125787-94-2
常用名:FK 224
别名:FK-224, FK224
IUPAC:N-[(3S,6S,9S,12R,15S,18Z,21S,22R)-12-benzyl-6-(carbamoylmethyl)-9-[(1S)-1-hydroxyethyl]-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexaazacyclodocosan-21-yl]-3-(2-pentylphenyl)propanamide
IUPAC:N-[(3S,6S,9S,12R,15S,18Z,21S,22R)-12-benzyl-6-(carbamoylmethyl)-9-[(1S)-1-hydroxyethyl]-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexaazacyclodocosan-21-yl]-3-(2-pentylphenyl)propanamide
InChI key:BEWCDVTWUFJSSM-QTTFJXBSSA-N

分子式:C54H72N8O13
分子量:1041.213
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)\C(=C\c2ccc(O)cc2)N(C)C(=O)[C@@H](NC(=O)CCc2ccccc2CCCCC)[C@@H](C)OC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC1=O)[C@H](C)O
SMILES:[H][C@]1(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)\C(=C\c2ccc(O)cc2)N(C)C(=O)[C@@H](NC(=O)CCc2ccccc2CCCCC)[C@@H](C)OC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC1=O)[C@H](C)O

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