[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (3S)-3-phenylbutanoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (3S)-3-phenylbutanoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)CC(C)C1=CC=CC=C1

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C[C@H](C)C1=CC=CC=C1

InChI

InChI=1S/C16H22N2O4/c1-3-9-17-16(21)18-14(19)11-22-15(20)10-12(2)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H2,17,18,19,21)/t12-/m0/s1