[(2S)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamidopropanoate

Systemtic Name: [(2S)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamidopropanoate Openeye Name: [(1S)-2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [(1S)-2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-13(22-20(27)16-7-5-4-6-8-16)21(28)29-14(2)19(26)24-18-11-9-17(10-12-18)23-15(3)25/h4-14H,1-3H3,(H,22,27)(H,23,25)(H,24,26)/t13-,14-/m0/s1