[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)N)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C[C@H](C(=O)N)OC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H22N2O5/c1-10(2)13(15(20)23-11(3)14(17)19)18-16(21)22-9-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H2,17,19)(H,18,21)/t11-,13+/m1/s1