2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-cyclopropyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-cyclopropyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-cyclopropyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid CAS Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-cyclopropyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-cyclopropylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid Traditional Name: 2-[[2-[2-(4-amidinophenyl)ethyl]-1-cyclopropyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid Formula: C30H28N6O4S MolecularWeight: 568.64612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=C(C=C(C=C3)N(CC(=O)O)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)N=C2CCC6=CC=C(C=C6)C(=N)N

Isomeric SMILES

C1CC1N2C3=C(C=C(C=C3)N(CC(=O)O)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)N=C2CCC6=CC=C(C=C6)C(=N)N

InChI

InChI=1S/C30H28N6O4S/c31-30(32)21-9-6-19(7-10-21)8-15-27-34-24-17-23(13-14-25(24)36(27)22-11-12-22)35(18-28(37)38)41(39,40)26-5-1-3-20-4-2-16-33-29(20)26/h1-7,9-10,13-14,16-17,22H,8,11-12,15,18H2,(H3,31,32)(H,37,38)