3-[3-[1-[3-cyclopentyl-2-(pyridin-2-ylmethoxy)phenoxy]-2-methyl-1-oxidanylidene-propan-2-yl]sulfanyl-2-oxidanyl-propyl]sulfanylpropanoic acid

Systemtic Name: 3-[3-[1-[3-cyclopentyl-2-(pyridin-2-ylmethoxy)phenoxy]-2-methyl-1-oxidanylidene-propan-2-yl]sulfanyl-2-oxidanyl-propyl]sulfanylpropanoic acid Openeye Name: 3-[3-[2-[3-cyclopentyl-2-(2-pyridylmethoxy)phenoxy]-1,1-dimethyl-2-oxo-ethyl]sulfanyl-2-hydroxy-propyl]sulfanylpropanoic acid CAS Name: 3-[[3-[[1-[3-cyclopentyl-2-(2-pyridinylmethoxy)phenoxy]-2-methyl-1-oxopropan-2-yl]thio]-2-hydroxypropyl]thio]propanoic acid IUPAC Name: 3-[3-[1-[3-cyclopentyl-2-(pyridin-2-ylmethoxy)phenoxy]-2-methyl-1-oxopropan-2-yl]sulfanyl-2-hydroxypropyl]sulfanylpropanoic acid Traditional Name: 3-[[3-[[2-[3-cyclopentyl-2-(2-pyridylmethoxy)phenoxy]-2-keto-1,1-dimethyl-ethyl]thio]-2-hydroxy-propyl]thio]propionic acid Formula: C27H35NO6S2 MolecularWeight: 533.6999

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC1=CC=CC(=C1OCC2=CC=CC=N2)C3CCCC3)SCC(CSCCC(=O)O)O

Isomeric SMILES

CC(C)(C(=O)OC1=CC=CC(=C1OCC2=CC=CC=N2)C3CCCC3)SCC(CSCCC(=O)O)O

InChI

InChI=1S/C27H35NO6S2/c1-27(2,36-18-21(29)17-35-15-13-24(30)31)26(32)34-23-12-7-11-22(19-8-3-4-9-19)25(23)33-16-20-10-5-6-14-28-20/h5-7,10-12,14,19,21,29H,3-4,8-9,13,15-18H2,1-2H3,(H,30,31)