Chem
J-GLOBAL ID:200907050839070834   Nikkaji number:J1.812.270G

3-(N-Methylanilino)-2,4-dioxylato-1-[(S)-1-carboxy-2-(1H-indole-3-yl)ethylamino]cyclobutane-1,3-diylium

3-(N-メチルアニリノ)-2,4-ジオキシラト-1-[(S)-1-カルボキシ-2-(1H-インドール-3-イル)エチルアミノ]シクロブタン-1,3-ジイリウム
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: C20[C+]2H21N3O2[O-]2
Molecular formula furigana: C22-H21-N3-O4
Molecular weight: 391.427
InChI: InChI=1S/C22H21N3O4/c1-25(14-7-3-2-4-8-14)19-20(26)18(21(19)27)24-17(22(28)29)11-13-12-23-16-10-6-5-9-15(13)16/h2-10,12,17,20-21,23-24H,11H2,1H3,(H,28,29)/t17-,20?,21?/m0/s1
InChI key: UNUZQYPTKSTODM-RPCJCACASA-N
SMILES: CN([C+]1C([O-])[C+](N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)C1[O-])c1ccccc1
Systematic name  (3):
  • 3-(N-メチルアニリノ)-2,4-ジオキシラト-1-[(S)-1-カルボキシ-2-(1H-インドール-3-イル)エチルアミノ]シクロブタン-1,3-ジイリウム
  • 3-{[(1S)-1-カルボキシ-2-(1H-インドール-3-イル)エチル]アミノ}-1-[メチル(フェニル)アミノ]シクロブタン-1,3-ビス(イリウム)-2,4-ビス(オラート)
  • 3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino}-1-[methyl(phenyl)amino]cyclobutane-1,3-bis(ylium)-2,4-bis(olate)
Other name (1):
  • 3-(N-Methylanilino)-2,4-dioxylato-1-[(S)-1-carboxy-2-(1H-indole-3-yl)ethylamino]cyclobutane-1,3-diylium
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