Name: Loloatin B 10
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320508
Cas No:182422-45-3
常用名:Loloatin B 10
IUPAC:2-[(3S,6R,9S,12S,15S,18S,21S,24S,27R,32aS)-21-(3-aminopropyl)-3,6-dibenzyl-9-(carbamoylmethyl)-27-[(4-hydroxyphenyl)methyl]-15-[(1H-indol-3-yl)methyl]-24-(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28-decaoxo-18-(propan-2-yl)-dotriacontahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22,25,28-decaazacyclotriacontan-12-yl]acetic acid
IUPAC:2-[(3S,6R,9S,12S,15S,18S,21S,24S,27R,32aS)-21-(3-aminopropyl)-3,6-dibenzyl-9-(carbamoylmethyl)-27-[(4-hydroxyphenyl)methyl]-15-[(1H-indol-3-yl)methyl]-24-(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28-decaoxo-18-(propan-2-yl)-dotriacontahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22,25,28-decaazacyclotriacontan-12-yl]acetic acid
InChI key:MIWBQDHORMXYDV-FLSVJYGXSA-N

分子式:C67H85N13O14
分子量:1296.494
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCCN1C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC2=O)C(C)C
SMILES:[H][C@@]12CCCN1C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC2=O)C(C)C

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