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CHEBI:83613 - methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valyl]amino}propanoate

ChEBI IDCHEBI:83613
ChEBI Namemethyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valyl]amino}propanoate
Stars
ASCII Namemethyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valyl]amino}propanoate
DefinitionA carboxamide resulting from the formal condensation of the carboxylic acid group of N-(isopropoxycarbonyl)valine with the amino group of methyl 3-amino-3-(4-chlorophenyl)propanoate.
Last Modified3 March 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H27ClN2O5
Net Charge0
Average Mass398.887
Monoisotopic Mass398.16085
SMILESCOC(=O)CC(NC(=O)C(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)
InChIKeyDBXFMOWZRXXBRN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valyl]amino}propanoate (CHEBI:83613) is a carbamate ester (CHEBI:23003)
methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valyl]amino}propanoate (CHEBI:83613) is a carboxamide (CHEBI:37622)
methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valyl]amino}propanoate (CHEBI:83613) is a methyl ester (CHEBI:25248)
methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valyl]amino}propanoate (CHEBI:83613) is a monochlorobenzenes (CHEBI:83403)
methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valyl]amino}propanoate (CHEBI:83613) is a valine derivative (CHEBI:27267)
Incoming Relation(s)
L-(R)-valifenalate (CHEBI:83615) is a methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valyl]amino}propanoate (CHEBI:83613)
L-(S)-valifenalate (CHEBI:83616) is a methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valyl]amino}propanoate (CHEBI:83613)
IUPAC Name 
methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valyl]amino}propanoate
Registry NumbersSources
Reaxys:15585809Reaxys