Chem
J-GLOBAL ID:200907002447950378   Nikkaji number:J532.167K

(2S,3aS,7aS)-1-[N-[(S)-1-Carboxybutyl]-D-alanyl]octahydro-1H-indole-2-carboxylic acid

(2S,3aS,7aS)-1-[N-[(S)-1-カルボキシブチル]-D-アラニル]オクタヒドロ-1H-インドール-2-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: C17H28N2O5
Molecular formula furigana: C17-H28-N2-O5
Molecular weight: 340.420
InChI: InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11+,12+,13+,14+/m1/s1
InChI key: ODAIHABQVKJNIY-QMVSFRDZSA-N
SMILES: CCC[C@H](N[C@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O)C(=O)O
Systematic name  (3):
  • (2S,3aS,7aS)-1-[N-[(S)-1-カルボキシブチル]-D-アラニル]オクタヒドロ-1H-インドール-2-カルボン酸
  • (2S,3aS,7aS)-1-[(2R)-2-{[(1S)-1-カルボキシブチル]アミノ}プロパノイル]-オクタヒドロ-1H-インドール-2-カルボン酸
  • (2S,3aS,7aS)-1-[(2R)-2-{[(1S)-1-carboxybutyl]amino}propanoyl]-octahydro-1H-indole-2-carboxylic acid
Other name (1):
  • (2S,3aS,7aS)-1-[N-[(S)-1-Carboxybutyl]-D-alanyl]octahydro-1H-indole-2-carboxylic acid
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