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

Systemtic Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-4-methyl-quinolin-7-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-4-methyl-7-quinolyl]-(8-quinolylsulfonyl)amino]acetic acid CAS Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-4-methyl-7-quinolinyl]-(8-quinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-4-methylquinolin-7-yl]-quinolin-8-ylsulfonylamino]acetic acid Traditional Name: 2-[[2-[2-(4-amidinophenyl)ethyl]-4-methyl-7-quinolyl]-(8-quinolylsulfonyl)amino]acetic acid Formula: C30H27N5O4S MolecularWeight: 553.63148

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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)CCC5=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)CCC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C30H27N5O4S/c1-19-16-23(12-9-20-7-10-22(11-8-20)30(31)32)34-26-17-24(13-14-25(19)26)35(18-28(36)37)40(38,39)27-6-2-4-21-5-3-15-33-29(21)27/h2-8,10-11,13-17H,9,12,18H2,1H3,(H3,31,32)(H,36,37)