5-aminocarbonyl-2-[3-[(3-azanyl-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-azanyl-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-[(3-amino-5-carboxy-benzoyl)amino]-5-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]-5-carbamoyl-benzoic acid CAS Name: 2-[3-[[(3-amino-5-carboxyphenyl)-oxomethyl]amino]-5-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]-5-carbamoylbenzoic acid IUPAC Name: 2-[3-[(3-amino-5-carboxybenzoyl)amino]-5-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]-5-carbamoylbenzoic acid Traditional Name: 2-[3-(6-amidino-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(3-amino-5-carboxy-benzoyl)amino]phenyl]-5-carbamoyl-benzoic acid Formula: C39H34N6O6 MolecularWeight: 682.72386

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

InChI

InChI=1S/C39H34N6O6/c1-39(26-5-3-2-4-6-26)19-33(45-32-10-8-20(34(41)42)18-31(32)39)23-11-22(29-9-7-21(35(43)46)17-30(29)38(50)51)15-28(16-23)44-36(47)24-12-25(37(48)49)14-27(40)13-24/h2-18,33,45H,19,40H2,1H3,(H3,41,42)(H2,43,46)(H,44,47)(H,48,49)(H,50,51)