3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-quinolin-3-yl-propanoic acid

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-quinolin-3-yl-propanoic acid Openeye Name: 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-3-(3-quinolyl)propanoic acid CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-3-(3-quinolinyl)propanoic acid IUPAC Name: 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-3-quinolin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-3-(3-quinolyl)propionic acid Formula: C23H23N5O4 MolecularWeight: 433.45982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)C(CC(=O)O)NC(=O)CCC(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)C(CC(=O)O)NC(=O)CCC(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H23N5O4/c24-23(25)14-5-7-17(8-6-14)27-20(29)9-10-21(30)28-19(12-22(31)32)16-11-15-3-1-2-4-18(15)26-13-16/h1-8,11,13,19H,9-10,12H2,(H3,24,25)(H,27,29)(H,28,30)(H,31,32)