Chemical Compound

3-[(4R,7S,10S,16S,19S,22S,25S,28S,31S,34R)-34-amino-4-carbamoyl-19-(carbamoylmethyl)-31-(2-carboxyethyl)-7-[(4-hydroxyphenyl)methyl]-28-(2-methylpropyl)-10-[2-(methylsulfanyl)ethyl]-6,9,12,15,18,21,24,27,30,33-decaoxo-25-{[4-(phosphonooxy)phenyl]methyl}-16-(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl]propanoic acid

3-[(4R,7S,10S,16S,19S,22S,25S,28S,31S,34R)-34-amino-4-carbamoyl-19-(carbamoylmethyl)-31-(2-carboxyethyl)-7-[(4-hydroxyphenyl)methyl]-28-(2-methylpropyl)-10-[2-(methylsulfanyl)ethyl]-6,9,12,15,18,21,24,27,30,33-decaoxo-25-{[4-(phosphonooxy)phenyl]methyl}-16-(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl]propanoic acid 结构式
Primary record

3-[(4R,7S,10S,16S,19S,22S,25S,28S,31S,34R)-34-amino-4-carbamoyl-19-(carbamoylmethyl)-31-(2-carboxyethyl)-7-[(4-hydroxyphenyl)methyl]-28-(2-methylpropyl)-10-[2-(methylsulfanyl)ethyl]-6,9,12,15,18,21,24,27,30,33-decaoxo-25-{[4-(phosphonooxy)phenyl]methyl}-16-(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl]propanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177527521
SMILES
CC(C)C[C@H]1C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)NCC(=O)NC(C(=O)NC(C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CCC(=O)O)N)C(=O)N)CC2=CC=C(C=C2)O)CCSC)C(C)C)CC(=O)N)CCC(=O)O)CC3=CC=C(C=C3)OP(=O)(O)O
Canonical SMILES
CSCCC1NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)C(CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)C(Cc2ccc(OP(=O)(O)O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)C(Cc2ccc(O)cc2)NC1=O

名称与同义词

  • J1.212.128H
  • L-Cys(1)-L-Glu-L-Leu-O-Phosphono-L-Tyr-L-Glu-L-Asn-L-Val-Gly-L-Met-L-Tyr-L-Cys(1)-NH2
  • 3-[(4R,7S,10S,16S,19S,22S,25S,28S,31S,34R)-34-amino-4-carbamoyl-19-(carbamoylmethyl)-31-(2-carboxyethyl)-7-[(4-hydroxyphenyl)methyl]-28-(2-methylpropyl)-10-[2-(methylsulfanyl)ethyl]-6,9,12,15,18,21,24,27,30,33-decaoxo-25-{[4-(phosphonooxy)phenyl]methyl}-16-(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl]propanoic acid