Chem
J-GLOBAL ID:200907077615357840   Nikkaji number:J686.009E

(1S,3R,4R)-1-Ethyl-1-(carboxymethyl)-4-phenyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid

(1S,3R,4R)-1-エチル-1-(カルボキシメチル)-4-フェニル-1,2,3,4-テトラヒドロ-β-カルボリン-3-カルボン酸
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: C22H22N2O4
Molecular formula furigana: C22-H22-N2-O4
Molecular weight: 378.428
InChI: InChI=1S/C22H22N2O4/c1-2-22(12-16(25)26)20-18(14-10-6-7-11-15(14)23-20)17(19(24-22)21(27)28)13-8-4-3-5-9-13/h3-11,17,19,23-24H,2,12H2,1H3,(H,25,26)(H,27,28)/t17-,19-,22+/m1/s1
InChI key: UOHBUDDZUNUDMN-JUXOCIIHSA-N
SMILES: CC[C@@]1(CC(=O)O)N[C@H]([C@@H](c2c1[nH]c1ccccc21)c1ccccc1)C(=O)O
Systematic name  (3):
  • (1S,3R,4R)-1-エチル-1-(カルボキシメチル)-4-フェニル-1,2,3,4-テトラヒドロ-β-カルボリン-3-カルボン酸
  • (1S,3R,4R)-1-(カルボキシメチル)-1-エチル-4-フェニル-1H,2H,3H,4H,9H-ピリド[3,4-b]インドール-3-カルボン酸
  • (1S,3R,4R)-1-(carboxymethyl)-1-ethyl-4-phenyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
Other name (1):
  • (1S,3R,4R)-1-Ethyl-1-(carboxymethyl)-4-phenyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid
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