5-(1H-imidazol-2-ylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-4-oxidanyl-pentanoic acid

Systemtic Name: 5-(1H-imidazol-2-ylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-4-oxidanyl-pentanoic acid Openeye Name: 4-hydroxy-5-(1H-imidazol-2-ylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]pentanoic acid CAS Name: 4-hydroxy-5-(1H-imidazol-2-ylthio)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]pentanoic acid IUPAC Name: 4-hydroxy-5-(1H-imidazol-2-ylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]pentanoic acid Traditional Name: 4-hydroxy-5-(1H-imidazol-2-ylthio)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]valeric acid Formula: C21H23N3O6S2 MolecularWeight: 477.55382

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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=NC=CN3)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC(CSC3=NC=CN3)O)C(=O)O

InChI

InChI=1S/C21H23N3O6S2/c1-30-17-6-2-14(3-7-17)15-4-8-18(9-5-15)32(28,29)24-19(20(26)27)12-16(25)13-31-21-22-10-11-23-21/h2-11,16,19,24-25H,12-13H2,1H3,(H,22,23)(H,26,27)