Chem
J-GLOBAL ID：200907088428202451   Nikkaji number：J496.964B

N-[(2-Methylphenyl)sulfonyl]-3-methoxy-4-[[6-[(cyclopentylacetyl)amino]-3-[2-(aminocarbonyl)ethyl]-1H-indol-1-yl]methyl]benzamide

4-{[3-(2-カルバモイルエチル)-6-(2-シクロペンチルアセトアミド)-1H-インドール-1-イル]メチル}-3-メトキシ-N-(2-メチルベンゼンスルホニル)ベンズアミド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C34H38N4O6S
Molecular formula furigana： C34-H38-N4-O6-S
Molecular weight： 630.760
InChI： InChI=1S/C34H38N4O6S/c1-22-7-3-6-10-31(22)45(42,43)37-34(41)24-11-12-26(30(18-24)44-2)21-38-20-25(13-16-32(35)39)28-15-14-27(19-29(28)38)36-33(40)17-23-8-4-5-9-23/h3,6-7,10-12,14-15,18-20,23H,4-5,8-9,13,16-17,21H2,1-2H3,(H2,35,39)(H,36,40)(H,37,41)
InChI key： OOYIYRBOQDGXIL-UHFFFAOYSA-N
SMILES： COc1cc(ccc1Cn1cc(CCC(=O)N)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Systematic name  (3)：
  • N-[(2-メチルフェニル)スルホニル]-3-メトキシ-4-[[6-[(シクロペンチルアセチル)アミノ]-3-[2-(アミノカルボニル)エチル]-1H-インドール-1-イル]メチル]ベンズアミド
  • 4-{[3-(2-カルバモイルエチル)-6-(2-シクロペンチルアセトアミド)-1H-インドール-1-イル]メチル}-3-メトキシ-N-(2-メチルベンゼンスルホニル)ベンズアミド
  • 4-{[3-(2-carbamoylethyl)-6-(2-cyclopentylacetamido)-1H-indol-1-yl]methyl}-3-methoxy-N-(2-methylbenzenesulfonyl)benzamide
Other name (1)：
  • N-[(2-Methylphenyl)sulfonyl]-3-methoxy-4-[[6-[(cyclopentylacetyl)amino]-3-[2-(aminocarbonyl)ethyl]-1H-indol-1-yl]methyl]benzamide
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