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

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: (2-oxo-2-ureido-ethyl) (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid (2-keto-2-ureido-ethyl) ester Formula: C16H21N3O5 MolecularWeight: 335.35504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)NC(=O)N

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC(=O)N

InChI

InChI=1S/C16H21N3O5/c1-9(2)13(15(22)24-8-12(20)18-16(17)23)19-14(21)11-7-5-4-6-10(11)3/h4-7,9,13H,8H2,1-3H3,(H,19,21)(H3,17,18,20,23)/t13-/m0/s1