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

Systemtic Name: 5-aminocarbonyl-2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]phenyl]benzoic acid Openeye Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(3-hydroxy-3-oxo-propanoyl)amino]phenyl]-5-carbamoyl-benzoic acid CAS Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(3-hydroxy-1,3-dioxopropyl)amino]phenyl]-5-carbamoylbenzoic acid IUPAC Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(3-hydroxy-3-oxopropanoyl)amino]phenyl]-5-carbamoylbenzoic acid Traditional Name: 2-[3-(6-amidino-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(3-hydroxy-3-keto-propanoyl)amino]phenyl]-5-carbamoyl-benzoic acid Formula: C34H31N5O6 MolecularWeight: 605.63984

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

InChI

InChI=1S/C34H31N5O6/c1-34(22-5-3-2-4-6-22)17-28(39-27-10-8-18(31(35)36)15-26(27)34)21-11-20(12-23(13-21)38-29(40)16-30(41)42)24-9-7-19(32(37)43)14-25(24)33(44)45/h2-15,28,39H,16-17H2,1H3,(H3,35,36)(H2,37,43)(H,38,40)(H,41,42)(H,44,45)