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

Systemtic Name: [1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [1-methyl-2-(1-naphthylamino)-2-oxo-ethyl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [1-(1-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(naphthalen-1-ylamino)-1-oxopropan-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-(1-naphthylamino)ethyl] ester Formula: C26H28N2O4 MolecularWeight: 432.51152

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(=O)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)OC(C)C(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C26H28N2O4/c1-16(2)23(28-25(30)20-12-7-9-17(3)15-20)26(31)32-18(4)24(29)27-22-14-8-11-19-10-5-6-13-21(19)22/h5-16,18,23H,1-4H3,(H,27,29)(H,28,30)/t18?,23-/m0/s1