CHEBI:83615 - L-(R)-valifenalate

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ChEBI Name L-(R)-valifenalate
ChEBI ID CHEBI:83615
ChEBI ASCII Name L-(R)-valifenalate
Definition A 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 (3R)-3-amino-3-(4-chlorophenyl)propanoate.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C19H27ClN2O5
Net Charge 0
Average Mass 398.88100
Monoisotopic Mass 398.16085
InChI InChI=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+/m1/s1
InChIKey DBXFMOWZRXXBRN-WBVHZDCISA-N
SMILES COC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1
ChEBI Ontology
Outgoing L-(R)-valifenalate (CHEBI:83615) is a methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valyl]amino}propanoate (CHEBI:83613)
Incoming valifenalate (CHEBI:83610) has part L-(R)-valifenalate (CHEBI:83615)
IUPAC Name
methyl (3R)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoate
Last Modified
06 November 2014