Name: (Thr4,Gly7)-Oxytocin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214983219
Cas No:60786-59-6
常用名:(Thr4,Gly7)-Oxytocin
IUPAC:(2S)-2-(2-{[(4R,7S,10S,13S,16S,19R)-19-amino-13-[(2S)-butan-2-yl]-7-(carbamoylmethyl)-10-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}acetamido)-N-(carbamoylmethyl)-4-methylpentanamide
IUPAC:(2S)-2-(2-{[(4R,7S,10S,13S,16S,19R)-19-amino-13-[(2S)-butan-2-yl]-7-(carbamoylmethyl)-10-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}acetamido)-N-(carbamoylmethyl)-4-methylpentanamide
InChI key:XQAKKLKDUOWUIU-IKNHWLCZSA-N

分子式:C39H61N11O12S2
分子量:940.1
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC)[C@@H](C)O
SMILES:[H][C@]1(NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC)[C@@H](C)O

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