Chemical Compound

(2S)-2-{[(4R,7S,10S,13S,16S,19S,22S,25S,28S)-28-amino-16-benzyl-7-[(2S)-butan-2-yl]-22-butyl-10,25-bis(carbamoylmethyl)-13-(hydroxymethyl)-19-[(4-hydroxyphenyl)methyl]-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octaazacyclononacosan-4-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

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(2S)-2-{[(4R,7S,10S,13S,16S,19S,22S,25S,28S)-28-amino-16-benzyl-7-[(2S)-butan-2-yl]-22-butyl-10,25-bis(carbamoylmethyl)-13-(hydroxymethyl)-19-[(4-hydroxyphenyl)methyl]-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octaazacyclononacosan-4-yl]formamido}-3-(1H-indol-3-yl)propanoic acid 结构式
Primary record

(2S)-2-{[(4R,7S,10S,13S,16S,19S,22S,25S,28S)-28-amino-16-benzyl-7-[(2S)-butan-2-yl]-22-butyl-10,25-bis(carbamoylmethyl)-13-(hydroxymethyl)-19-[(4-hydroxyphenyl)methyl]-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octaazacyclononacosan-4-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177439178
SMILES
CCCCC1C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)NC(CSSC[C@H](C(=O)NC(C(=O)N1)CC(=O)N)N)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)[C@@H](C)CC)CC(=O)N)CO)CC4=CC=CC=C4)CC5=CC=C(C=C5)O
Canonical SMILES
CCCCC1NC(=O)C(CC(N)=O)NC(=O)[C@H](N)CSSCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)C([C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC(=O)C(CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC1=O

名称与同义词

  • WX-360-Nle
  • J1.799.500F
  • Cyclo21,29[D-Cys21,Nle23,Cys29]uPA(21-30)
  • Cyclo21,29[D-Cys21,Nle23,Cys29]urokinase-type plasminogen activator(21-30)
  • (2S)-2-{[(4R,7S,10S,13S,16S,19S,22S,25S,28S)-28-amino-16-benzyl-7-[(2S)-butan-2-yl]-22-butyl-10,25-bis(carbamoylmethyl)-13-(hydroxymethyl)-19-[(4-hydroxyphenyl)methyl]-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octaazacyclononacosan-4-yl]formamido}-3-(1H-indol-3-yl)propanoic acid