ethyl (2S)-2-deuterio-4-(2-formamidophenyl)-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: ethyl (2S)-2-deuterio-4-(2-formamidophenyl)-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: ethyl (2S)-2-(benzyloxycarbonylamino)-2-deuterio-4-(2-formamidophenyl)-4-oxo-butanoate CAS Name: (2S)-2-deuterio-4-(2-formamidophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-deuterio-4-(2-formamidophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-2-deuterio-4-(2-formamidophenyl)-4-keto-butyric acid ethyl ester Formula: C21H22N2O6 MolecularWeight: 399.415342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)C1=CC=CC=C1NC=O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

[2H][C@](CC(=O)C1=CC=CC=C1NC=O)(C(=O)OCC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O6/c1-2-28-20(26)18(23-21(27)29-13-15-8-4-3-5-9-15)12-19(25)16-10-6-7-11-17(16)22-14-24/h3-11,14,18H,2,12-13H2,1H3,(H,22,24)(H,23,27)/t18-/m0/s1/i18D