5-(1,3-benzothiazol-2-ylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]-4-oxidanyl-pentanoic acid

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]-4-oxidanyl-pentanoic acid Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]pentanoic acid CAS Name: 5-(1,3-benzothiazol-2-ylthio)-4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methylamino]pentanoic acid IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methylamino]pentanoic acid Traditional Name: 5-(1,3-benzothiazol-2-ylthio)-4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]valeric acid Formula: C26H26N2O6S3 MolecularWeight: 558.68944

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC(CSC1=NC2=CC=CC=C2S1)O)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C(CC(CSC1=NC2=CC=CC=C2S1)O)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H26N2O6S3/c1-28(37(32,33)21-13-9-18(10-14-21)17-7-11-20(34-2)12-8-17)23(25(30)31)15-19(29)16-35-26-27-22-5-3-4-6-24(22)36-26/h3-14,19,23,29H,15-16H2,1-2H3,(H,30,31)