5-[(4-methoxyphenyl)methylsulfanyl]-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-4-oxidanyl-pentanoic acid

Systemtic Name: 5-[(4-methoxyphenyl)methylsulfanyl]-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-4-oxidanyl-pentanoic acid Openeye Name: 4-hydroxy-5-[(4-methoxyphenyl)methylsulfanyl]-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]pentanoic acid CAS Name: 4-hydroxy-5-[(4-methoxyphenyl)methylthio]-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]pentanoic acid IUPAC Name: 4-hydroxy-5-[(4-methoxyphenyl)methylsulfanyl]-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]pentanoic acid Traditional Name: 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(p-anisylthio)valeric acid Formula: C26H29NO7S2 MolecularWeight: 531.64096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSCC(CC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC)O

Isomeric SMILES

COC1=CC=C(C=C1)CSCC(CC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C26H29NO7S2/c1-33-22-9-3-18(4-10-22)16-35-17-21(28)15-25(26(29)30)27-36(31,32)24-13-7-20(8-14-24)19-5-11-23(34-2)12-6-19/h3-14,21,25,27-28H,15-17H2,1-2H3,(H,29,30)