Name: Omphalotin A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218848624
Cas No:186511-50-2
常用名:Omphalotin A
IUPAC:(9S,12S,15S,21S,24S,30S)-9,21,30-tris[(2S)-butan-2-yl]-15-[(1H-indol-3-yl)methyl]-1,4,7,13,19,22,28,31,34-nonamethyl-3,6,12,24,33-pentakis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31,34-dodecaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
IUPAC:(9S,12S,15S,21S,24S,30S)-9,21,30-tris[(2S)-butan-2-yl]-15-[(1H-indol-3-yl)methyl]-1,4,7,13,19,22,28,31,34-nonamethyl-3,6,12,24,33-pentakis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31,34-dodecaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
InChI key:RPRXGEAIZUOLRT-FZXWPGNYSA-N

分子式:C69H115N13O12
分子量:1318.758
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C)C(=O)[C@]([H])([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)CN(C)C(=O)[C@]([H])([C@@H](C)CC)N(C)C(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O)C(C)C)[C@@H](C)CC
SMILES:[H][C@]1(NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C)C(=O)[C@]([H])([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)CN(C)C(=O)[C@]([H])([C@@H](C)CC)N(C)C(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O)C(C)C)[C@@H](C)CC

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