Heterophyllin A
HIT218887284
sdf文件结构编辑类似物检索
HIT ID: HIT218887284
Cas No: 145459-18-3
分子式: C37H57N7O8
分子量: 727.904
常用名: Heterophyllin A
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (6S,9S,15S,18S,23aS)-9-benzyl-6,15-bis[(2S)-butan-2-yl]-18-[(1R)-1-hydroxyethyl]-3-(propan-2-yl)-docosahydro-1H-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosane-1,4,7,10,13,16,19-heptone
IUPAC: (6S,9S,15S,18S,23aS)-9-benzyl-6,15-bis[(2S)-butan-2-yl]-18-[(1R)-1-hydroxyethyl]-3-(propan-2-yl)-docosahydro-1H-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosane-1,4,7,10,13,16,19-heptone
SMILES: [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC(=O)C(NC2=O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O
SMILES: [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC(=O)C(NC2=O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O
InChI key: QGGGNYCMKLVXKB-BULJVLRSSA-N
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