5-aminocarbonyl-2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-(2-phenylethanoylamino)phenyl]benzoic acid

Systemtic Name: 5-aminocarbonyl-2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-(2-phenylethanoylamino)phenyl]benzoic acid Openeye Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(2-phenylacetyl)amino]phenyl]-5-carbamoyl-benzoic acid CAS Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(1-oxo-2-phenylethyl)amino]phenyl]-5-carbamoylbenzoic acid IUPAC Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(2-phenylacetyl)amino]phenyl]-5-carbamoylbenzoic acid Traditional Name: 2-[3-(6-amidino-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(2-phenylacetyl)amino]phenyl]-5-carbamoyl-benzoic acid Formula: C39H35N5O4 MolecularWeight: 637.7263

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(NC2=C1C=C(C=C2)C(=N)N)C3=CC(=CC(=C3)C4=C(C=C(C=C4)C(=O)N)C(=O)O)NC(=O)CC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1(CC(NC2=C1C=C(C=C2)C(=N)N)C3=CC(=CC(=C3)C4=C(C=C(C=C4)C(=O)N)C(=O)O)NC(=O)CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C39H35N5O4/c1-39(28-10-6-3-7-11-28)22-34(44-33-15-13-24(36(40)41)21-32(33)39)27-17-26(30-14-12-25(37(42)46)20-31(30)38(47)48)18-29(19-27)43-35(45)16-23-8-4-2-5-9-23/h2-15,17-21,34,44H,16,22H2,1H3,(H3,40,41)(H2,42,46)(H,43,45)(H,47,48)