Name: Arthrofactin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320455
Cas No:152406-36-5
常用名:Arthrofactin
IUPAC:2-[(3S,6R,9S,12R,15S,18R,21R,24R,27R,30R,33R)-6,9-bis[(2S)-butan-2-yl]-3-(carboxymethyl)-37-heptyl-27-[(1S)-1-hydroxyethyl]-12,18-bis(hydroxymethyl)-15,21,24,33-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34-undecaazacycloheptatriacontan-30-yl]acetic acid
IUPAC:2-[(3S,6R,9S,12R,15S,18R,21R,24R,27R,30R,33R)-6,9-bis[(2S)-butan-2-yl]-3-(carboxymethyl)-37-heptyl-27-[(1S)-1-hydroxyethyl]-12,18-bis(hydroxymethyl)-15,21,24,33-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34-undecaazacycloheptatriacontan-30-yl]acetic acid
InChI key:HXMCERBOSXQYRH-KSVGBCIHSA-N

分子式:C64H111N11O20
分子量:1354.649
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(C)C)NC(=O)CC(CCCCCCC)OC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC1=O)[C@@H](C)CC)[C@@H](C)CC)[C@H](C)O
SMILES:[H][C@@]1(NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(C)C)NC(=O)CC(CCCCCCC)OC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC1=O)[C@@H](C)CC)[C@@H](C)CC)[C@H](C)O

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