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

Systemtic Name: 5-aminocarbonyl-2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-(2-methylpropanoylamino)phenyl]benzoic acid Openeye Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-(2-methylpropanoylamino)phenyl]-5-carbamoyl-benzoic acid CAS Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(2-methyl-1-oxopropyl)amino]phenyl]-5-carbamoylbenzoic acid IUPAC Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-(2-methylpropanoylamino)phenyl]-5-carbamoylbenzoic acid Traditional Name: 2-[3-(6-amidino-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-(isobutyrylamino)phenyl]-5-carbamoyl-benzoic acid Formula: C35H35N5O4 MolecularWeight: 589.6835

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=CC(=C1)C2CC(C3=C(N2)C=CC(=C3)C(=N)N)(C)C4=CC=CC=C4)C5=C(C=C(C=C5)C(=O)N)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC1=CC(=CC(=C1)C2CC(C3=C(N2)C=CC(=C3)C(=N)N)(C)C4=CC=CC=C4)C5=C(C=C(C=C5)C(=O)N)C(=O)O

InChI

InChI=1S/C35H35N5O4/c1-19(2)33(42)39-25-14-22(26-11-9-21(32(38)41)16-27(26)34(43)44)13-23(15-25)30-18-35(3,24-7-5-4-6-8-24)28-17-20(31(36)37)10-12-29(28)40-30/h4-17,19,30,40H,18H2,1-3H3,(H3,36,37)(H2,38,41)(H,39,42)(H,43,44)