[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 3,5-diacetamidobenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 3,5-diacetamidobenzoate Openeye Name: [(1S)-2-anilino-1-methyl-2-oxo-ethyl] 3,5-diacetamidobenzoate CAS Name: 3,5-diacetamidobenzoic acid [(2S)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxopropan-2-yl] 3,5-diacetamidobenzoate Traditional Name: 3,5-diacetamidobenzoic acid [(1S)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC(=CC(=C2)NC(=O)C)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)OC(=O)C2=CC(=CC(=C2)NC(=O)C)NC(=O)C

InChI

InChI=1S/C20H21N3O5/c1-12(19(26)23-16-7-5-4-6-8-16)28-20(27)15-9-17(21-13(2)24)11-18(10-15)22-14(3)25/h4-12H,1-3H3,(H,21,24)(H,22,25)(H,23,26)/t12-/m0/s1