[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-benzamido-3-methyl-butanoate

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-benzamido-3-methyl-butanoate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] (2R)-2-benzamido-3-methyl-butanoate CAS Name: (2R)-2-benzamido-3-methylbutanoic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate Traditional Name: (2R)-2-benzamido-3-methyl-butyric acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-13(2)18(24-20(27)15-6-4-3-5-7-15)21(28)29-12-17(25)23-16-10-8-14(9-11-16)19(22)26/h3-11,13,18H,12H2,1-2H3,(H2,22,26)(H,23,25)(H,24,27)/t18-/m1/s1