(2R)-4-[(2,6-diethylphenyl)amino]-4-oxidanylidene-2-(phenethylamino)butanoic acid

Systemtic Name: (2R)-4-[(2,6-diethylphenyl)amino]-4-oxidanylidene-2-(phenethylamino)butanoic acid Openeye Name: (2R)-4-(2,6-diethylanilino)-4-oxo-2-(phenethylamino)butanoic acid CAS Name: (2R)-4-(2,6-diethylanilino)-4-oxo-2-(phenethylamino)butanoic acid IUPAC Name: (2R)-4-(2,6-diethylanilino)-4-oxo-2-(phenethylamino)butanoic acid Traditional Name: (2R)-4-(2,6-diethylanilino)-4-keto-2-(phenethylamino)butyric acid Formula: C22H28N2O3 MolecularWeight: 368.46932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CC(C(=O)O)NCCC2=CC=CC=C2

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[C@H](C(=O)O)NCCC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O3/c1-3-17-11-8-12-18(4-2)21(17)24-20(25)15-19(22(26)27)23-14-13-16-9-6-5-7-10-16/h5-12,19,23H,3-4,13-15H2,1-2H3,(H,24,25)(H,26,27)/t19-/m1/s1