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

Systemtic Name: [(2R)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [(1R)-2-(ethylamino)-1-methyl-2-oxo-ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2S)-2-benzamido-4-(methylthio)butanoic acid [(2R)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2S)-2-benzamido-4-(methylthio)butyric acid [(1R)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4S/c1-4-18-15(20)12(2)23-17(22)14(10-11-24-3)19-16(21)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H,18,20)(H,19,21)/t12-,14+/m1/s1