[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-(4-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [2-(4-acetamidoanilino)-2-keto-ethyl] ester Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC=C(C=C1)NC(=O)C)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)NC(=O)C)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H22N4O5/c1-13(21-20(28)24-15-6-4-3-5-7-15)19(27)29-12-18(26)23-17-10-8-16(9-11-17)22-14(2)25/h3-11,13H,12H2,1-2H3,(H,22,25)(H,23,26)(H2,21,24,28)/t13-/m0/s1