Chemical Compound

2-(((3-((acetyloxy)methyl)-12-(butan-2-yl)-2,5,11,14-tetrahydroxy-6-(2-(4-hydroxyphenyl)ethyl)-7-methyl-8-oxo-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl)-C-hydroxycarbonimidoyl)amino)-3-methylpentanoate

2-(((3-((acetyloxy)methyl)-12-(butan-2-yl)-2,5,11,14-tetrahydroxy-6-(2-(4-hydroxyphenyl)ethyl)-7-methyl-8-oxo-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl)-C-hydroxycarbonimidoyl)amino)-3-methylpentanoate 结构式
Primary record

2-(((3-((acetyloxy)methyl)-12-(butan-2-yl)-2,5,11,14-tetrahydroxy-6-(2-(4-hydroxyphenyl)ethyl)-7-methyl-8-oxo-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl)-C-hydroxycarbonimidoyl)amino)-3-methylpentanoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
146684894
SMILES
CCC(C)C1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NCCCCC(C(=O)N1)NC(=O)NC(C(C)CC)C(=O)O)COC(=O)C)CCC2=CC=C(C=C2)O)C)CCC3=CC=CC=C3
Canonical SMILES
CCC(C)C(NC(=O)NC1CCCCNC(=O)C(COC(C)=O)NC(=O)C(CCc2ccc(O)cc2)N(C)C(=O)C(CCc2ccccc2)NC(=O)C(C(C)CC)NC1=O)C(=O)O

名称与同义词

  • Nodulapeptin 879
  • RefChem:166332
  • CHEBI:221975
  • DTXSID601046514
  • NP 879
  • 2-[[3-(acetyloxymethyl)-12-butan-2-yl-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid
  • 2-(((3-((acetyloxy)methyl)-12-(butan-2-yl)-2,5,11,14-tetrahydroxy-6-(2-(4-hydroxyphenyl)ethyl)-7-methyl-8-oxo-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl)-C-hydroxycarbonimidoyl)amino)-3-methylpentanoate
  • 2-((3-(acetyloxymethyl)-12-butan-2-yl-6-(2-(4-hydroxyphenyl)ethyl)-7-methyl-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl)carbamoylamino)-3-methylpentanoic acid
  • 2-(3-(3-(acetoxymethyl)-12-(sec-butyl)-6-(4-hydroxyphenethyl)-7-methyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
  • 2-[({3-[(acetyloxy)methyl]-12-(butan-2-yl)-2,5,11,14-tetrahydroxy-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-8-oxo-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl}-C-hydroxycarbonimidoyl)amino]-3-methylpentanoate