dimethyl 2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanedioate

Systemtic Name: dimethyl 2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanedioate Openeye Name: dimethyl 2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanedioate CAS Name: 2-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanedioate Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]malonic acid dimethyl ester Formula: C18H24N2O7 MolecularWeight: 380.39236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O7/c1-11(2)13(15(21)19-14(16(22)25-3)17(23)26-4)20-18(24)27-10-12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3,(H,19,21)(H,20,24)/t13-/m0/s1