Chemical Compound

(2S)-6-[N'-(4-azidophenyl)carbamimidamido]-2-{[(2S)-1-[(4R,7S,10S,13S,16S)-13-benzyl-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)hexanamide

(2S)-6-[N'-(4-azidophenyl)carbamimidamido]-2-{[(2S)-1-[(4R,7S,10S,13S,16S)-13-benzyl-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)hexanamide 结构式
Primary record

(2S)-6-[N'-(4-azidophenyl)carbamimidamido]-2-{[(2S)-1-[(4R,7S,10S,13S,16S)-13-benzyl-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)hexanamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177605002
SMILES
C1C[C@H](N(C1)C(=O)[C@@H]2CSSCCC(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)N[C@@H](CCCCN=C(N)NC5=CC=C(C=C5)N=[N+]=[N-])C(=O)NCC(=O)N
Canonical SMILES
[N-]=[N+]=Nc1ccc(NC(N)=NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSCCC(=O)NC(Cc3ccc(O)cc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N2)C(=O)NCC(N)=O)cc1

名称与同义词

  • J1.239.316D
  • (2S)-6-[N'-(4-azidophenyl)carbamimidamido]-2-{[(2S)-1-[(4R,7S,10S,13S,16S)-13-benzyl-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)hexanamide
  • N-[3-Mercapto(1)propionyl]-L-Tyr-L-Phe-L-Gln-L-Asn-L-Cys(1)-L-Pro-N6-[[(4-azidophenyl)amino](imino)methyl]-L-Lys-Gly-NH2