Chemical Compound

(3R,6S,9S,12S,20S,25aS)-6-(3-carbamimidamidopropyl)-20-[(2S)-2-acetamidohexanamido]-24-hydroxy-9-[(1H-indol-3-yl)methyl]-3-[(naphthalen-2-yl)methyl]-1,4,7,10,18,21-hexaoxo-tetracosahydro-1H-pyrrolo[2,1-l]1,4,7,10,13,18-hexaazacyclotricosane-12-carboxamide

(3R,6S,9S,12S,20S,25aS)-6-(3-carbamimidamidopropyl)-20-[(2S)-2-acetamidohexanamido]-24-hydroxy-9-[(1H-indol-3-yl)methyl]-3-[(naphthalen-2-yl)methyl]-1,4,7,10,18,21-hexaoxo-tetracosahydro-1H-pyrrolo[2,1-l]1,4,7,10,13,18-hexaazacyclotricosane-12-carboxamide 结构式
Primary record

(3R,6S,9S,12S,20S,25aS)-6-(3-carbamimidamidopropyl)-20-[(2S)-2-acetamidohexanamido]-24-hydroxy-9-[(1H-indol-3-yl)methyl]-3-[(naphthalen-2-yl)methyl]-1,4,7,10,18,21-hexaoxo-tetracosahydro-1H-pyrrolo[2,1-l]1,4,7,10,13,18-hexaazacyclotricosane-12-carboxamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177600728
SMILES
CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]2CC(CN2C1=O)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CC5=CNC6=CC=CC=C65)C(=O)N)NC(=O)C
Canonical SMILES
CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CC(O)CN2C1=O

名称与同义词

  • PG-911
  • J1.729.531D
  • N-Ac-L-Nle-L-Asp(1)-4-Hydroxy-L-Pro-3-(2-naphthyl)-D-Ala-L-Arg-L-Trp-L-Lys(1)-NH2
  • (3R,6S,9S,12S,20S,25aS)-6-(3-carbamimidamidopropyl)-20-[(2S)-2-acetamidohexanamido]-24-hydroxy-9-[(1H-indol-3-yl)methyl]-3-[(naphthalen-2-yl)methyl]-1,4,7,10,18,21-hexaoxo-tetracosahydro-1H-pyrrolo[2,1-l]1,4,7,10,13,18-hexaazacyclotricosane-12-carboxamide