Name: Nostopeptin B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317763
Cas No:185980-89-6
常用名:Nostopeptin B
IUPAC:(4S)-5-[(4S,14S,17S,20S)-14,20-bis[(2S)-butan-2-yl]-22-hydroxy-17-[(4-hydroxyphenyl)methyl]-10,18-dimethyl-4-(2-methylpropyl)-3,6,13,16,19,25-hexaoxo-12-oxa-2,5,8,15,18,21-hexaazatricyclo[19.3.1.0^{7,11}]pentacosan-8-yl]-4-acetamido-5-oxopentanamide
IUPAC:(4S)-5-[(4S,14S,17S,20S)-14,20-bis[(2S)-butan-2-yl]-22-hydroxy-17-[(4-hydroxyphenyl)methyl]-10,18-dimethyl-4-(2-methylpropyl)-3,6,13,16,19,25-hexaoxo-12-oxa-2,5,8,15,18,21-hexaazatricyclo[19.3.1.0^{7,11}]pentacosan-8-yl]-4-acetamido-5-oxopentanamide
InChI key:QMXYZAMGCKYKHQ-FHNQGLGHSA-N

分子式:C46H70N8O12
分子量:927.11
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H]C12CCC(O)N(C1=O)[C@@]([H])([C@@H](C)CC)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)OC1C(C)CN(C1C(=O)N[C@@H](CC(C)C)C(=O)N2)C(=O)[C@H](CCC(N)=O)NC(C)=O
SMILES:[H]C12CCC(O)N(C1=O)[C@@]([H])([C@@H](C)CC)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)OC1C(C)CN(C1C(=O)N[C@@H](CC(C)C)C(=O)N2)C(=O)[C@H](CCC(N)=O)NC(C)=O

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