Vaccarin C
HIT219250921
sdf文件结构编辑类似物检索
HIT ID: HIT219250921
Cas No: 177602-12-9
分子式: C43H56N8O8
分子量: 812.969
常用名: Vaccarin C
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3S,6S,9S,18S,24S)-18-[(4-hydroxyphenyl)methyl]-3-[(1H-indol-3-yl)methyl]-6-(2-methylpropyl)-15-(propan-2-yl)-1,4,7,13,16,19,22-heptaazatricyclo[22.3.0.0^{9,13}]heptacosane-2,5,8,14,17,20,23-heptone
IUPAC: (3S,6S,9S,18S,24S)-18-[(4-hydroxyphenyl)methyl]-3-[(1H-indol-3-yl)methyl]-6-(2-methylpropyl)-15-(propan-2-yl)-1,4,7,13,16,19,22-heptaazatricyclo[22.3.0.0^{9,13}]heptacosane-2,5,8,14,17,20,23-heptone
SMILES: [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CCCN1C(=O)C(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC2=O)C(C)C
SMILES: [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CCCN1C(=O)C(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC2=O)C(C)C
InChI key: PFLNHBDSHKCNNW-HVUQPSAZSA-N
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