[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C(C(C)C)NC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C(C(C)C)NC(=O)C1=CC(=CC=C1)C

InChI

InChI=1S/C19H27N3O5/c1-5-9-20-19(26)21-15(23)11-27-18(25)16(12(2)3)22-17(24)14-8-6-7-13(4)10-14/h6-8,10,12,16H,5,9,11H2,1-4H3,(H,22,24)(H2,20,21,23,26)