Chemical Compound

(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S)-2,17-bis(4-aminobutyl)-8,11-dibenzyl-5-(carbamoylmethyl)-20,26-bis[(1R)-1-hydroxyethyl]-29-(hydroxymethyl)-23-[(4-hydroxyphenyl)methyl]-14-[(1H-indol-3-yl)methyl]-3,6,9,12,15,18,21,24,27,30,38-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclooctatriacontane-32-carboxylic acid

CAS Registry Number 86170-12-9
(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S)-2,17-bis(4-aminobutyl)-8,11-dibenzyl-5-(carbamoylmethyl)-20,26-bis[(1R)-1-hydroxyethyl]-29-(hydroxymethyl)-23-[(4-hydroxyphenyl)methyl]-14-[(1H-indol-3-yl)methyl]-3,6,9,12,15,18,21,24,27,30,38-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclooctatriacontane-32-carboxylic acid 结构式
Primary record

(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S)-2,17-bis(4-aminobutyl)-8,11-dibenzyl-5-(carbamoylmethyl)-20,26-bis[(1R)-1-hydroxyethyl]-29-(hydroxymethyl)-23-[(4-hydroxyphenyl)methyl]-14-[(1H-indol-3-yl)methyl]-3,6,9,12,15,18,21,24,27,30,38-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclooctatriacontane-32-carboxylic acid

库存
6,238 克
纯度
98.1 %
CAS
86170-12-9

化合物标识与属性

CAS
86170-12-9
PubChem CID
171360329
SMILES
C[C@H]([C@H]1C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@@H](CCCCCC(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CC(=O)N)CCCCN)C(=O)O)CO)[C@@H](C)O)CC6=CC=C(C=C6)O)O
Canonical SMILES
C[C@@H](O)[C@@H]1NC(=O)C(Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CCCCC[C@@H](C(=O)O)NC(=O)C(CO)NC1=O

名称与同义词

  • Cgp-23996
  • J342.304B
  • (2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S)-2,17-bis(4-aminobutyl)-8,11-dibenzyl-5-(carbamoylmethyl)-20,26-bis[(1R)-1-hydroxyethyl]-29-(hydroxymethyl)-23-[(4-hydroxyphenyl)methyl]-14-[(1H-indol-3-yl)methyl]-3,6,9,12,15,18,21,24,27,30,38-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclooctatriacontane-32-carboxylic acid
  • 2-Deamino-L-Abu(1)-L-Lys-L-Asp(NH2)-L-Phe-L-Phe-L-Trp-L-Lys-L-Thr-L-Tyr-L-Thr-L-Ser-L-Abu(1)-OH
  • 86170-12-9