Chemical Compound

(3S)-3-{[(3S,4R,7S,13R,16R,22S,28S,31S,34R)-16-[(1R)-1-aminoethyl]-31-[(1S)-1-carboxyethyl]-22,28-bis(carboxymethyl)-4-methyl-2,6,12,15,18,21,24,27,30,33-decaoxo-13-(propan-2-yl)-1,5,11,14,17,20,23,26,29,32-decaazatricyclo[32.4.0.07,11]octatriacontan-3-yl]carbamoyl}-3-[(3Z)-10-methyldodec-3-enamido]propanoic acid

(3S)-3-{[(3S,4R,7S,13R,16R,22S,28S,31S,34R)-16-[(1R)-1-aminoethyl]-31-[(1S)-1-carboxyethyl]-22,28-bis(carboxymethyl)-4-methyl-2,6,12,15,18,21,24,27,30,33-decaoxo-13-(propan-2-yl)-1,5,11,14,17,20,23,26,29,32-decaazatricyclo[32.4.0.07,11]octatriacontan-3-yl]carbamoyl}-3-[(3Z)-10-methyldodec-3-enamido]propanoic acid 结构式
Primary record

(3S)-3-{[(3S,4R,7S,13R,16R,22S,28S,31S,34R)-16-[(1R)-1-aminoethyl]-31-[(1S)-1-carboxyethyl]-22,28-bis(carboxymethyl)-4-methyl-2,6,12,15,18,21,24,27,30,33-decaoxo-13-(propan-2-yl)-1,5,11,14,17,20,23,26,29,32-decaazatricyclo[32.4.0.07,11]octatriacontan-3-yl]carbamoyl}-3-[(3Z)-10-methyldodec-3-enamido]propanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177627523
SMILES
CCC(C)CCCCC/C=C\CC(=O)N[C@@H](CC(=O)O)C(=O)NC1C(NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)C(NC(=O)[C@H]3CCCCN3C1=O)[C@H](C)C(=O)O)CC(=O)O)CC(=O)O)[C@@H](C)N)C(C)C)C
Canonical SMILES
CCC(C)CCCCC/C=C\CC(=O)N[C@@H](CC(=O)O)C(=O)NC1C(=O)N2CCCC[C@@H]2C(=O)NC([C@H](C)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCC(=O)NC([C@@H](C)N)C(=O)N[C@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)NC1C

名称与同义词

  • A-1437E
  • J1.417.831G
  • (3R)-N2-[(S)-3-Carboxy-2-[[(Z)-10-methyl-1-oxo-3-dodecenyl]amino]propionyl]-3-methylcyclo[L-A2pr*-D-Pip-[(3S)-3-methyl-L-Asp-]-L-Asp-Gly-L-Asp-Gly-[(3R)-3-methyl-D-A2pr-]-D-Val-L-Pro-]
  • (3S)-3-{[(3S,4R,7S,13R,16R,22S,28S,31S,34R)-16-[(1R)-1-aminoethyl]-31-[(1S)-1-carboxyethyl]-22,28-bis(carboxymethyl)-4-methyl-2,6,12,15,18,21,24,27,30,33-decaoxo-13-(propan-2-yl)-1,5,11,14,17,20,23,26,29,32-decaazatricyclo[32.4.0.07,11]octatriacontan-3-yl]carbamoyl}-3-[(3Z)-10-methyldodec-3-enamido]propanoic acid