[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid (1-allophanoyl-2-methyl-propyl) ester Formula: C19H27N3O5 MolecularWeight: 377.43478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OC(C(C)C)C(=O)NC(=O)N

InChI

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