(2R)-2-(3-imidazol-1-ylpropylamino)-4-[(2-methoxyphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2R)-2-(3-imidazol-1-ylpropylamino)-4-[(2-methoxyphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (2R)-2-(3-imidazol-1-ylpropylamino)-4-(2-methoxyanilino)-4-oxo-butanoic acid CAS Name: (2R)-2-[3-(1-imidazolyl)propylamino]-4-(2-methoxyanilino)-4-oxobutanoic acid IUPAC Name: (2R)-2-(3-imidazol-1-ylpropylamino)-4-(2-methoxyanilino)-4-oxobutanoic acid Traditional Name: (2R)-2-(3-imidazol-1-ylpropylamino)-4-keto-4-(o-anisidino)butyric acid Formula: C17H22N4O4 MolecularWeight: 346.38098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CC(C(=O)O)NCCCN2C=CN=C2

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C[C@H](C(=O)O)NCCCN2C=CN=C2

InChI

InChI=1S/C17H22N4O4/c1-25-15-6-3-2-5-13(15)20-16(22)11-14(17(23)24)19-7-4-9-21-10-8-18-12-21/h2-3,5-6,8,10,12,14,19H,4,7,9,11H2,1H3,(H,20,22)(H,23,24)/t14-/m1/s1