Clionamine B
HIT218850775
sdf文件结构编辑类似物检索
HIT ID: HIT218850775
Cas No: 1042138-28-2
分子式: C27H45NO3
分子量: 431.661
常用名: Clionamine B
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,2S,4S,7S,8R,9S,12S,13S,16S,18S)-16-amino-7-hydroxy-9,13-dimethyl-7-(4-methylpentyl)-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan-6-one
IUPAC: (1R,2S,4S,7S,8R,9S,12S,13S,16S,18S)-16-amino-7-hydroxy-9,13-dimethyl-7-(4-methylpentyl)-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan-6-one
SMILES: [H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@@H](N)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@@](O)(CCCC(C)C)C(=O)O2
SMILES: [H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@@H](N)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@@](O)(CCCC(C)C)C(=O)O2
InChI key: PLLJOGIAOGXLFM-SIQVBDLFSA-N
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