[Tyr1]-Somatostatin-14
HIT214323930
sdf文件结构编辑类似物检索
HIT ID: HIT214323930
Cas No: 59481-23-1
分子式: C82H108N18O20S2
分子量: 1729.99
常用名: [Tyr1]-Somatostatin-14
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-37-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-19,34-bis(4-aminobutyl)-13,25,28-tribenzyl-31-(carbamoylmethyl)-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-[(1H-indol-3-yl)methyl]-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontane-4-carboxylic acid
IUPAC: (4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-37-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-19,34-bis(4-aminobutyl)-13,25,28-tribenzyl-31-(carbamoylmethyl)-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-[(1H-indol-3-yl)methyl]-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontane-4-carboxylic acid
SMILES: [H][C@]1(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O
SMILES: [H][C@]1(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O
InChI key: HTAVEOUQMYLKNB-RQJOHNKKSA-N
共显示1个结果
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