Chem
J-GLOBAL ID:200907086052110515   Nikkaji number:J2.410.369B

4-[[2-[[3-(1H-Indole-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]decane-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid

3-[(2-{2-[(1H-インドール-3-イル)メチル]-2-({[(1r,3r,5r,7r)-アダマンタン-2-イルオキシ]カルボニル}アミノ)プロパンアミド}-1-フェニルエチル)カルバモイル]プロパン酸
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: C35H42N4O6
Molecular formula furigana: C35-H42-N4-O6
Molecular weight: 614.743
InChI: InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21-,22+,24-,25+,29?,32?,35?
InChI key: FVQSSYMRZKLFDR-PDIRTVFHSA-N
SMILES: CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC(NC(=O)CCC(=O)O)c1ccccc1
Systematic name  (3):
  • 4-[[2-[[3-(1H-インドール-3-イル)-2-メチル-1-オキソ-2-[[(トリシクロ[3.3.1.13,7]デカン-2-イルオキシ)カルボニル]アミノ]プロピル]アミノ]-1-フェニルエチル]アミノ]-4-オキソブタン酸
  • 3-[(2-{2-[(1H-インドール-3-イル)メチル]-2-({[(1r,3r,5r,7r)-アダマンタン-2-イルオキシ]カルボニル}アミノ)プロパンアミド}-1-フェニルエチル)カルバモイル]プロパン酸
  • 3-[(2-{2-[(1H-indol-3-yl)methyl]-2-({[(1r,3r,5r,7r)-adamantan-2-yloxy]carbonyl}amino)propanamido}-1-phenylethyl)carbamoyl]propanoic acid
Other name (1):
  • 4-[[2-[[3-(1H-Indole-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]decane-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid
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