Name: Satoreotide
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218848864
Cas No:1801415-23-5
常用名:Satoreotide
别名:JR11
IUPAC:(4S)-N-(4-{[(4R,7S,10S,13R,16S,19S)-19-[(2S)-2-amino-3-(4-chlorophenyl)propanamido]-10-(4-aminobutyl)-4-{[(1R)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}-13-{[4-(carbamoylamino)phenyl]methyl}-7-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-16-yl]methyl}phenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide
IUPAC:(4S)-N-(4-{[(4R,7S,10S,13R,16S,19S)-19-[(2S)-2-amino-3-(4-chlorophenyl)propanamido]-10-(4-aminobutyl)-4-{[(1R)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}-13-{[4-(carbamoylamino)phenyl]methyl}-7-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-16-yl]methyl}phenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide
InChI key:LBGAPPKREFCCSH-ADPPPVLCSA-N

分子式:C58H72ClN15O14S2
分子量:1302.88
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(Cl)cc1)[C@@H](C)O
SMILES:[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(Cl)cc1)[C@@H](C)O

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