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

Systemtic Name: ethyl 4-azanyl-2-[2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-amino-2-[[2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetyl]amino]-4-oxo-butanoate CAS Name: 4-amino-2-[[2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]-1-oxoethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[[2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetyl]amino]-4-oxobutanoate Traditional Name: 2-[[2-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetyl]amino]-4-amino-4-keto-butyric acid ethyl ester Formula: C33H34N8O6S MolecularWeight: 670.73806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)N)NC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCOC(=O)C(CC(=O)N)NC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C33H34N8O6S/c1-3-47-33(44)25(18-28(34)42)39-30(43)19-41(48(45,46)27-8-4-6-21-7-5-15-37-31(21)27)23-13-14-26-24(17-23)38-29(40(26)2)16-20-9-11-22(12-10-20)32(35)36/h4-15,17,25H,3,16,18-19H2,1-2H3,(H2,34,42)(H3,35,36)(H,39,43)