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

Systemtic Name: ethyl (2S)-4-(2-aminophenyl)-2-deuterio-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: ethyl (2S)-4-(2-aminophenyl)-2-(benzyloxycarbonylamino)-2-deuterio-4-oxo-butanoate CAS Name: (2S)-4-(2-aminophenyl)-2-deuterio-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid ethyl ester IUPAC Name: ethyl (2S)-4-(2-aminophenyl)-2-deuterio-4-oxo-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-4-(2-aminophenyl)-2-(benzyloxycarbonylamino)-2-deuterio-4-keto-butyric acid ethyl ester Formula: C20H22N2O5 MolecularWeight: 371.405242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)C1=CC=CC=C1N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

[2H][C@](CC(=O)C1=CC=CC=C1N)(C(=O)OCC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O5/c1-2-26-19(24)17(12-18(23)15-10-6-7-11-16(15)21)22-20(25)27-13-14-8-4-3-5-9-14/h3-11,17H,2,12-13,21H2,1H3,(H,22,25)/t17-/m0/s1/i17D