Chem
J-GLOBAL ID:200907066805896672
Nikkaji number:J771.886A
1-[2-Oxo-2-(methylphenethylamino)ethyl]-5-(benzyloxy)-1H-indole-3-propanoic acid
1-[2-オキソ-2-(メチルフェネチルアミノ)エチル]-5-(ベンジルオキシ)-1H-インドール-3-プロパン酸
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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:
C29 H30 N2 O4
Molecular formula furigana:
C29-H30-N2-O4
Molecular weight:
470.569
InChI:
InChI=1S/C29H30N2O4/c1-30(17-16-22-8-4-2-5-9-22)28(32)20-31-19-24(12-15-29(33)34)26-18-25(13-14-27(26)31)35-21-23-10-6-3-7-11-23/h2-11,13-14,18-19H,12,15-17,20-21H2,1H3,(H,33,34)
InChI key:
ZHXMSWBIBLYPKE-UHFFFAOYSA-N
SMILES:
CN(CCc1ccccc1)C(=O)Cn1cc(CCC(=O)O)c2cc(OCc3ccccc3)ccc12
Systematic name (3):
1-[2-オキソ-2-(メチルフェネチルアミノ)エチル]-5-(ベンジルオキシ)-1H-インドール-3-プロパン酸
3-[5-(ベンジルオキシ)-1-{[メチル(2-フェニルエチル)カルバモイル]メチル}-1H-インドール-3-イル]プロパン酸
3-[5-(benzyloxy)-1-{[methyl(2-phenylethyl)carbamoyl]methyl}-1H-indol-3-yl]propanoic acid
Other name (1):
1-[2-Oxo-2-(methylphenethylamino)ethyl]-5-(benzyloxy)-1H-indole-3-propanoic acid
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