[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H25N3O5 MolecularWeight: 363.4082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5/c1-10(2)19-18(25)21-15(22)13(5)26-17(24)12(4)20-16(23)14-8-6-7-11(3)9-14/h6-10,12-13H,1-5H3,(H,20,23)(H2,19,21,22,25)/t12-,13-/m0/s1