[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (3S)-3-phenylbutanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (3S)-3-phenylbutanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4/c1-10(2)14(15(20)18-16(17)21)22-13(19)9-11(3)12-7-5-4-6-8-12/h4-8,10-11,14H,9H2,1-3H3,(H3,17,18,20,21)/t11-,14+/m0/s1