[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (3S)-3-phenylbutanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (3S)-3-phenylbutanoate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4/c1-11(2)18-17(22)19-16(21)13(4)23-15(20)10-12(3)14-8-6-5-7-9-14/h5-9,11-13H,10H2,1-4H3,(H2,18,19,21,22)/t12-,13-/m0/s1