Chemical Compound

3-Phenyl-2-((((12S)-2,11,14-trihydroxy-6-(2-(4-hydroxyphenyl)ethyl)-3-(2-methanesulphinylethyl)-4,7-dimethyl-9-(2-methylpropyl)-5,8-dioxo-12-(propan-2-yl)-1,4,7,10,13-pentaazacyclononadeca-1,10,13-trien-15-yl)-C-hydroxycarbonimidoyl)amino)propanoic acid

3-Phenyl-2-((((12S)-2,11,14-trihydroxy-6-(2-(4-hydroxyphenyl)ethyl)-3-(2-methanesulphinylethyl)-4,7-dimethyl-9-(2-methylpropyl)-5,8-dioxo-12-(propan-2-yl)-1,4,7,10,13-pentaazacyclononadeca-1,10,13-trien-15-yl)-C-hydroxycarbonimidoyl)amino)propanoic acid 结构式
Primary record

3-Phenyl-2-((((12S)-2,11,14-trihydroxy-6-(2-(4-hydroxyphenyl)ethyl)-3-(2-methanesulphinylethyl)-4,7-dimethyl-9-(2-methylpropyl)-5,8-dioxo-12-(propan-2-yl)-1,4,7,10,13-pentaazacyclononadeca-1,10,13-trien-15-yl)-C-hydroxycarbonimidoyl)amino)propanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
139590360
SMILES
CC(C)CC1C(=O)N(C(C(=O)N(C(C(=O)NCCCCC(C(=O)N[C@H](C(=O)N1)C(C)C)NC(=O)NC(CC2=CC=CC=C2)C(=O)O)CCS(=O)C)C)CCC3=CC=C(C=C3)O)C
Canonical SMILES
CC(C)CC1NC(=O)[C@H](C(C)C)NC(=O)C(NC(=O)NC(Cc2ccccc2)C(=O)O)CCCCNC(=O)C(CCS(C)=O)N(C)C(=O)C(CCc2ccc(O)cc2)N(C)C1=O

名称与同义词

  • RefChem:172451
  • Phe+CO[Lys+Val+Leu+MeHty+MetO]
  • CHEBI:211934
  • Phe+CO(Lys+Val+Leu+MeHty+MetO)
  • 2-(((12S)-6-(2-(4-hydroxyphenyl)ethyl)-4,7-dimethyl-9-(2-methylpropyl)-3-(2-methylsulfinylethyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl)carbamoylamino)-3-phenylpropanoic acid
  • 2-[[(12S)-6-[2-(4-hydroxyphenyl)ethyl]-4,7-dimethyl-9-(2-methylpropyl)-3-(2-methylsulfinylethyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid
  • 2-[[(12S)-6-[2-(4-hydroxyphenyl)ethyl]-4,7-dimethyl-9-(2-methylpropyl)-3-(2-methylsulinylethyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid
  • 3-Phenyl-2-((((12S)-2,11,14-trihydroxy-6-(2-(4-hydroxyphenyl)ethyl)-3-(2-methanesulfinylethyl)-4,7-dimethyl-9-(2-methylpropyl)-5,8-dioxo-12-(propan-2-yl)-1,4,7,10,13-pentaazacyclononadeca-1,10,13-trien-15-yl)-C-hydroxycarbonimidoyl)amino)propanoate
  • 3-Phenyl-2-((((12S)-2,11,14-trihydroxy-6-(2-(4-hydroxyphenyl)ethyl)-3-(2-methanesulphinylethyl)-4,7-dimethyl-9-(2-methylpropyl)-5,8-dioxo-12-(propan-2-yl)-1,4,7,10,13-pentaazacyclononadeca-1,10,13-trien-15-yl)-C-hydroxycarbonimidoyl)amino)propanoate
  • 3-Phenyl-2-((((12S)-2,11,14-trihydroxy-6-(2-(4-hydroxyphenyl)ethyl)-3-(2-methanesulphinylethyl)-4,7-dimethyl-9-(2-methylpropyl)-5,8-dioxo-12-(propan-2-yl)-1,4,7,10,13-pentaazacyclononadeca-1,10,13-trien-15-yl)-C-hydroxycarbonimidoyl)amino)propanoic acid
  • 3-Phenyl-2-({[(12S)-2,11,14-trihydroxy-6-[2-(4-hydroxyphenyl)ethyl]-3-(2-methanesulfinylethyl)-4,7-dimethyl-9-(2-methylpropyl)-5,8-dioxo-12-(propan-2-yl)-1,4,7,10,13-pentaazacyclononadeca-1,10,13-trien-15-yl]-C-hydroxycarbonimidoyl}amino)propanoate
  • 3-Phenyl-2-({[(12S)-2,11,14-trihydroxy-6-[2-(4-hydroxyphenyl)ethyl]-3-(2-methanesulphinylethyl)-4,7-dimethyl-9-(2-methylpropyl)-5,8-dioxo-12-(propan-2-yl)-1,4,7,10,13-pentaazacyclononadeca-1,10,13-trien-15-yl]-C-hydroxycarbonimidoyl}amino)propanoate
  • 3-Phenyl-2-({[(12S)-2,11,14-trihydroxy-6-[2-(4-hydroxyphenyl)ethyl]-3-(2-methanesulphinylethyl)-4,7-dimethyl-9-(2-methylpropyl)-5,8-dioxo-12-(propan-2-yl)-1,4,7,10,13-pentaazacyclononadeca-1,10,13-trien-15-yl]-C-hydroxycarbonimidoyl}amino)propanoic acid