[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (2S)-2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (2S)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2S)-2-benzamido-4-(methylthio)butanoic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] (2S)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2S)-2-benzamido-4-(methylthio)butyric acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C(CCSC)NC(=O)C1=CC=CC=C1

Isomeric SMILES

C[C@H](C(=O)NCC=C)OC(=O)[C@H](CCSC)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H24N2O4S/c1-4-11-19-16(21)13(2)24-18(23)15(10-12-25-3)20-17(22)14-8-6-5-7-9-14/h4-9,13,15H,1,10-12H2,2-3H3,(H,19,21)(H,20,22)/t13-,15+/m1/s1