2-[2-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[2-[(4-amidinophenoxy)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetyl]amino]acetic acid Formula: C29H27N7O6S MolecularWeight: 601.63298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CC(=O)NCC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1COC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC(=O)NCC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1COC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C29H27N7O6S/c1-35-23-12-9-20(14-22(23)34-25(35)17-42-21-10-7-19(8-11-21)29(30)31)36(16-26(37)33-15-27(38)39)43(40,41)24-6-2-4-18-5-3-13-32-28(18)24/h2-14H,15-17H2,1H3,(H3,30,31)(H,33,37)(H,38,39)