Chemical Compound

(3S,6R,11R,14S,20S,23S,31aS)-23-(4-aminobutyl)-14-(3-carbamimidamidopropyl)-3,20-bis(carboxymethyl)-11-(hex-5-ynamido)-1,4,12,15,18,21,24,27-octaoxo-octacosahydro-1H-pyrrolo[2,1-j]1,2-dithia-5,8,11,14,17,20,23,26-octaazacyclononacosane-6-carboxylic acid

(3S,6R,11R,14S,20S,23S,31aS)-23-(4-aminobutyl)-14-(3-carbamimidamidopropyl)-3,20-bis(carboxymethyl)-11-(hex-5-ynamido)-1,4,12,15,18,21,24,27-octaoxo-octacosahydro-1H-pyrrolo[2,1-j]1,2-dithia-5,8,11,14,17,20,23,26-octaazacyclononacosane-6-carboxylic acid 结构式
Primary record

(3S,6R,11R,14S,20S,23S,31aS)-23-(4-aminobutyl)-14-(3-carbamimidamidopropyl)-3,20-bis(carboxymethyl)-11-(hex-5-ynamido)-1,4,12,15,18,21,24,27-octaoxo-octacosahydro-1H-pyrrolo[2,1-j]1,2-dithia-5,8,11,14,17,20,23,26-octaazacyclononacosane-6-carboxylic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177471307
SMILES
C#CCCCC(=O)NC1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)C(NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)CCCN=C(N)N)CC(=O)O)CCCCN)CC(=O)O)C(=O)O
Canonical SMILES
C#CCCCC(=O)NC1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)C(CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O

名称与同义词

  • J3.554.935H
  • N-(5-Hexynoyl)-L-Cys(1)-L-Arg-Gly-L-Asp-L-Lys-Gly-L-Pro-L-Asp-L-Cys(1)-OH
  • (3S,6R,11R,14S,20S,23S,31aS)-23-(4-aminobutyl)-14-(3-carbamimidamidopropyl)-3,20-bis(carboxymethyl)-11-(hex-5-ynamido)-1,4,12,15,18,21,24,27-octaoxo-octacosahydro-1H-pyrrolo[2,1-j]1,2-dithia-5,8,11,14,17,20,23,26-octaazacyclononacosane-6-carboxylic acid