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CHEBI:83591 - L-(S)-iprovalicarb

ChEBI IDCHEBI:83591
ChEBI NameL-(S)-iprovalicarb
Stars
ASCII NameL-(S)-iprovalicarb
DefinitionThe stereoisomer of isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate resulting from the formal condensation of L-valine Nα-isopropyl carbamate with (1S)-1-(p-tolyl)ethylamine.
Last Modified6 November 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H28N2O3
Net Charge0
Average Mass320.433
Monoisotopic Mass320.20999
SMILESCc1ccc([C@H](C)NC(=O)[C@@H](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)/t14-,16-/m0/s1
InChIKeyNWUWYYSKZYIQAE-HOCLYGCPSA-N
ChEBI Ontology
Outgoing Relation(s)
L-(S)-iprovalicarb (CHEBI:83591) is a isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate (CHEBI:83593)
Incoming Relation(s)
iprovalicarb (CHEBI:82023) has part L-(S)-iprovalicarb (CHEBI:83591)
IUPAC Name 
isopropyl [(2S)-3-methyl-1-{[(1S)-1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl]carbamate