[2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-[4-(acetamidomethyl)phenyl]-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [2-[4-(acetamidomethyl)phenyl]-2-keto-ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC=C(C=C1)CNC(=O)C)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=CC=C(C=C1)CNC(=O)C)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O5/c1-14(23-21(28)24-18-6-4-3-5-7-18)20(27)29-13-19(26)17-10-8-16(9-11-17)12-22-15(2)25/h3-11,14H,12-13H2,1-2H3,(H,22,25)(H2,23,24,28)/t14-/m0/s1