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

Systemtic Name: 5-aminocarbonyl-2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(5-oxidanyl-5-oxidanylidene-pentanoyl)amino]phenyl]benzoic acid Openeye Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(5-hydroxy-5-oxo-pentanoyl)amino]phenyl]-5-carbamoyl-benzoic acid CAS Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(5-hydroxy-1,5-dioxopentyl)amino]phenyl]-5-carbamoylbenzoic acid IUPAC Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(5-hydroxy-5-oxopentanoyl)amino]phenyl]-5-carbamoylbenzoic acid Traditional Name: 2-[3-(6-amidino-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(5-hydroxy-5-keto-pentanoyl)amino]phenyl]-5-carbamoyl-benzoic acid Formula: C36H35N5O6 MolecularWeight: 633.693

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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)CCCC(=O)O)C5=CC=CC=C5

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)CCCC(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C36H35N5O6/c1-36(24-6-3-2-4-7-24)19-30(41-29-13-11-20(33(37)38)18-28(29)36)23-14-22(15-25(16-23)40-31(42)8-5-9-32(43)44)26-12-10-21(34(39)45)17-27(26)35(46)47/h2-4,6-7,10-18,30,41H,5,8-9,19H2,1H3,(H3,37,38)(H2,39,45)(H,40,42)(H,43,44)(H,46,47)