4-azanyl-2-[2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetyl]amino]-4-oxobutanoic acid Traditional Name: 2-[[2-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetyl]amino]-4-amino-4-keto-butyric acid Formula: C31H30N8O6S MolecularWeight: 642.6849

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CC(=O)NC(CC(=O)N)C(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1CC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC(=O)NC(CC(=O)N)C(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1CC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C31H30N8O6S/c1-38-24-12-11-21(15-22(24)36-27(38)14-18-7-9-20(10-8-18)30(33)34)39(17-28(41)37-23(31(42)43)16-26(32)40)46(44,45)25-6-2-4-19-5-3-13-35-29(19)25/h2-13,15,23H,14,16-17H2,1H3,(H2,32,40)(H3,33,34)(H,37,41)(H,42,43)