FK 224
HIT214317847
sdf文件结构编辑类似物检索
HIT ID: HIT214317847
Cas No: 125787-94-2
分子式: C54H72N8O13
分子量: 1041.213
常用名: FK 224
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
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
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
InChI key: BEWCDVTWUFJSSM-QTTFJXBSSA-N
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