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CHEBI:83593 - isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate

ChEBI IDCHEBI:83593
ChEBI Nameisopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate
Stars
DefinitionA carbamate ester that is valinamide in which one of the hydrogens attached to the amide nitrogen is replaced by a 1-(p-tolyl)ethyl group and the α-amino group has been converted to the corresponding isopropyl carbamate.
Last Modified6 November 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H28N2O3
Net Charge0
Average Mass320.433
Monoisotopic Mass320.20999
SMILESCc1ccc(C(C)NC(=O)C(NC(=O)OC(C)C)C(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)
InChIKeyNWUWYYSKZYIQAE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate (CHEBI:83593) is a amino acid amide (CHEBI:22475)
isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate (CHEBI:83593) is a carbamate ester (CHEBI:23003)
isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate (CHEBI:83593) is a valine derivative (CHEBI:27267)
Incoming Relation(s)
L-(R)-iprovalicarb (CHEBI:83590) is a isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate (CHEBI:83593)
L-(S)-iprovalicarb (CHEBI:83591) is a isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate (CHEBI:83593)
IUPAC Name 
isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate
Registry NumbersSources
Reaxys:11343634Reaxys