5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-4-oxidanyl-pentanoic acid

Systemtic Name: 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-4-oxidanyl-pentanoic acid Openeye Name: 4-hydroxy-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]pentanoic acid CAS Name: 4-hydroxy-5-[(6-methoxy-1H-benzimidazol-2-yl)thio]-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]pentanoic acid IUPAC Name: 4-hydroxy-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]pentanoic acid Traditional Name: 4-hydroxy-5-[(6-methoxy-1H-benzimidazol-2-yl)thio]-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]valeric acid Formula: C26H27N3O7S2 MolecularWeight: 557.63848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC(CSC3=NC4=C(N3)C=C(C=C4)OC)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC(CSC3=NC4=C(N3)C=C(C=C4)OC)O)C(=O)O

InChI

InChI=1S/C26H27N3O7S2/c1-35-19-7-3-16(4-8-19)17-5-10-21(11-6-17)38(33,34)29-24(25(31)32)13-18(30)15-37-26-27-22-12-9-20(36-2)14-23(22)28-26/h3-12,14,18,24,29-30H,13,15H2,1-2H3,(H,27,28)(H,31,32)