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

Systemtic Name: 5-aminocarbonyl-2-[3-[(3-aminocarbonyl-5-carboxy-phenyl)carbonylamino]-5-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]benzoic acid Openeye Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(3-carbamoyl-5-carboxy-benzoyl)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-carbamoyl-5-carboxyphenyl)-oxomethyl]amino]phenyl]-5-carbamoylbenzoic acid IUPAC Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(3-carbamoyl-5-carboxybenzoyl)amino]phenyl]-5-carbamoylbenzoic acid Traditional Name: 2-[3-(6-amidino-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(3-carbamoyl-5-carboxy-benzoyl)amino]phenyl]-5-carbamoyl-benzoic acid Formula: C40H34N6O7 MolecularWeight: 710.73396

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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)C5=CC(=CC(=C5)C(=O)N)C(=O)O)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)C5=CC(=CC(=C5)C(=O)N)C(=O)O)C6=CC=CC=C6

InChI

InChI=1S/C40H34N6O7/c1-40(27-5-3-2-4-6-27)19-33(46-32-10-8-20(34(41)42)18-31(32)40)23-11-22(29-9-7-21(35(43)47)17-30(29)39(52)53)15-28(16-23)45-37(49)25-12-24(36(44)48)13-26(14-25)38(50)51/h2-18,33,46H,19H2,1H3,(H3,41,42)(H2,43,47)(H2,44,48)(H,45,49)(H,50,51)(H,52,53)