[(2S)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(2-methylphenyl)carbonylamino]ethanoate

Systemtic Name: [(2S)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(2-methylphenyl)carbonylamino]ethanoate Openeye Name: [(1S)-2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 2-[(2-methylbenzoyl)amino]acetate CAS Name: 2-[[(2-methylphenyl)-oxomethyl]amino]acetic acid [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-[(2-methylbenzoyl)amino]acetate Traditional Name: 2-(o-toluoylamino)acetic 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:

CC1=CC=CC=C1C(=O)NCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCC(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C21H23N3O5/c1-13-6-4-5-7-18(13)21(28)22-12-19(26)29-14(2)20(27)24-17-10-8-16(9-11-17)23-15(3)25/h4-11,14H,12H2,1-3H3,(H,22,28)(H,23,25)(H,24,27)/t14-/m0/s1