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CHEBI:42941 - (2S,5S)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acid

ChEBI IDCHEBI:42941
ChEBI Name(2S,5S)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acid
Stars
ASCII Name(2S,5S)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acid
DefinitionA non-proteinogenic amino acid derivative consisting of L-proline ortho- and peri-fused on to (3S)-3-amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one.
Last Modified28 July 2021
DownloadsMolfile
FormulaC13H14N2O3
Net Charge0
Average Mass246.266
Monoisotopic Mass246.10044
SMILESN[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)O)C3
InChIInChI=1S/C13H14N2O3/c14-9-5-4-7-2-1-3-8-6-10(13(17)18)15(11(7)8)12(9)16/h1-3,9-10H,4-6,14H2,(H,17,18)/t9-,10-/m0/s1
InChIKeyKCYCGNHQFGTGSS-UWVGGRQHSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,5S)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acid (CHEBI:42941) has functional parent L-proline (CHEBI:17203)
(2S,5S)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acid (CHEBI:42941) is a non-proteinogenic amino acid derivative (CHEBI:83812)
IUPAC Name 
(2S,5S)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acid
Synonyms  Source
(2S,5S)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acidPDBeChem
5-AMINO-4-OXO-1,2,4,5,6,7-HEXAHYDRO-AZEPINO[3,2,1-HI]INDOLE-2-CARBOXYLIC ACIDPDBeChem
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