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CHEBI:83616 - L-(S)-valifenalate

ChEBI IDCHEBI:83616
ChEBI NameL-(S)-valifenalate
Stars
ASCII NameL-(S)-valifenalate
DefinitionA methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valyl]amino}propanoate resulting from the formal condensation of the carboxylic acid group of N-(isopropoxycarbonyl)-L-valine with the amino group of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate.
Last Modified6 November 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H27ClN2O5
Net Charge0
Average Mass398.887
Monoisotopic Mass398.16085
SMILESCOC(=O)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15-,17-/m0/s1
InChIKeyDBXFMOWZRXXBRN-RDJZCZTQSA-N
ChEBI Ontology
Outgoing Relation(s)
L-(S)-valifenalate (CHEBI:83616) is a methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valyl]amino}propanoate (CHEBI:83613)
Incoming Relation(s)
valifenalate (CHEBI:83610) has part L-(S)-valifenalate (CHEBI:83616)
IUPAC Name 
methyl (3S)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoate