[1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: [1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [1-methyl-2-oxo-2-(phenylcarbamoylamino)ethyl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [1-[[anilino(oxo)methyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(m-toluoylamino)butyric acid [2-keto-1-methyl-2-(phenylcarbamoylamino)ethyl] ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)OC(C)C(=O)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O5/c1-14(2)19(25-21(28)17-10-8-9-15(3)13-17)22(29)31-16(4)20(27)26-23(30)24-18-11-6-5-7-12-18/h5-14,16,19H,1-4H3,(H,25,28)(H2,24,26,27,30)/t16?,19-/m0/s1