Chem
J-GLOBAL ID：200907072460257124
Nikkaji number：J2.332.847J
1-(4-Methoxybenzyl)-2-[1-hydroxy-2-[1-(phenylsulfonyl)-1H-indole-3-yl]-3-oxo-3-methoxypropyl]-1H-indole-3-carboxylic acid
1-(4-メトキシベンジル)-2-[1-ヒドロキシ-2-[1-(フェニルスルホニル)-1H-インドール-3-イル]-3-オキソ-3-メトキシプロピル]-1H-インドール-3-カルボン酸
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
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
Molecular formula： C35H30N2O8S
Molecular formula furigana： C35-H30-N2-O8-S
Molecular weight： 638.690
InChI：
InChI=1S/C35H30N2O8S/c1-44-23-18-16-22(17-19-23)20-36-28-14-8-7-13-26(28)30(34(39)40)32(36)33(38)31(35(41)45-2)27-21-37(29-15-9-6-12-25(27)29)46(42,43)24-10-4-3-5-11-24/h3-19,21,31,33,38H,20H2,1-2H3,(H,39,40)
InChI key：
XBBCOGZVOKVOJP-UHFFFAOYSA-N
SMILES：
COC(=O)C(C(O)c1c(C(=O)O)c2ccccc2n1Cc1ccc(OC)cc1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Systematic name (3)：
- 1-(4-メトキシベンジル)-2-[1-ヒドロキシ-2-[1-(フェニルスルホニル)-1H-インドール-3-イル]-3-オキソ-3-メトキシプロピル]-1H-インドール-3-カルボン酸
- 2-{2-[1-(ベンゼンスルホニル)-1H-インドール-3-イル]-1-ヒドロキシ-3-メトキシ-3-オキソプロピル}-1-[(4-メトキシフェニル)メチル]-1H-インドール-3-カルボン酸
- 2-{2-[1-(benzenesulfonyl)-1H-indol-3-yl]-1-hydroxy-3-methoxy-3-oxopropyl}-1-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxylic acid
- 1-(4-Methoxybenzyl)-2-[1-hydroxy-2-[1-(phenylsulfonyl)-1H-indole-3-yl]-3-oxo-3-methoxypropyl]-1H-indole-3-carboxylic acid
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