Chemical Compound

(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-N-[(3S,6S,9S,12S,15R)-9-benzyl-6-[(2S)-butan-2-yl]-12-methyl-3-[2-(methylsulfanyl)ethyl]-2,5,8,11,14-pentaoxo-1-thia-4,7,10,13-tetraazacyclohexadecan-15-yl]-3-hydroxybutanamide

(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-N-[(3S,6S,9S,12S,15R)-9-benzyl-6-[(2S)-butan-2-yl]-12-methyl-3-[2-(methylsulfanyl)ethyl]-2,5,8,11,14-pentaoxo-1-thia-4,7,10,13-tetraazacyclohexadecan-15-yl]-3-hydroxybutanamide 结构式
Primary record

(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-N-[(3S,6S,9S,12S,15R)-9-benzyl-6-[(2S)-butan-2-yl]-12-methyl-3-[2-(methylsulfanyl)ethyl]-2,5,8,11,14-pentaoxo-1-thia-4,7,10,13-tetraazacyclohexadecan-15-yl]-3-hydroxybutanamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177396990
SMILES
CC[C@H](C)[C@H]1C(=O)NC(C(=O)SC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)CCSC
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)[C@@H](C)O)CSC(=O)C(CCSC)NC1=O

名称与同义词

  • J2.018.088I
  • N-(L-Tyr-L-Ser-L-Thr-)Cyclo(L-Cys*-L-Ala-L-Phe-L-Ile-L-Met-)
  • (2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-N-[(3S,6S,9S,12S,15R)-9-benzyl-6-[(2S)-butan-2-yl]-12-methyl-3-[2-(methylsulfanyl)ethyl]-2,5,8,11,14-pentaoxo-1-thia-4,7,10,13-tetraazacyclohexadecan-15-yl]-3-hydroxybutanamide