(3,3-dimethyl-2-oxidanylidene-butyl) (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C(CC1=CC=CC=C1)NC(=O)N

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N

InChI

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