2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-4-methyl-quinolin-7-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-4-methyl-quinolin-7-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-4-methyl-7-quinolyl]-(8-quinolylsulfonyl)amino]acetic acid CAS Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-4-methyl-7-quinolinyl]-(8-quinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-4-methylquinolin-7-yl]-quinolin-8-ylsulfonylamino]acetic acid Traditional Name: 2-[[2-[(4-amidinoanilino)methyl]-4-methyl-7-quinolyl]-(8-quinolylsulfonyl)amino]acetic acid Formula: C29H26N6O4S MolecularWeight: 554.61954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CNC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CNC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C29H26N6O4S/c1-18-14-22(16-33-21-9-7-20(8-10-21)29(30)31)34-25-15-23(11-12-24(18)25)35(17-27(36)37)40(38,39)26-6-2-4-19-5-3-13-32-28(19)26/h2-15,33H,16-17H2,1H3,(H3,30,31)(H,36,37)