2-[[2-methyl-1-oxidanylidene-1-(3-oxidanylpyrrolidin-1-yl)propan-2-yl]sulfonylmethyl]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-methyl-1-oxidanylidene-1-(3-oxidanylpyrrolidin-1-yl)propan-2-yl]sulfonylmethyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[2-(3-hydroxypyrrolidin-1-yl)-1,1-dimethyl-2-oxo-ethyl]sulfonyl-propanoic acid CAS Name: 2-[[1-(3-hydroxy-1-pyrrolidinyl)-2-methyl-1-oxopropan-2-yl]sulfonylmethyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[1-(3-hydroxypyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]sulfonylpropanoic acid Traditional Name: 2-benzyl-3-[2-(3-hydroxypyrrolidino)-2-keto-1,1-dimethyl-ethyl]sulfonyl-propionic acid Formula: C18H25NO6S MolecularWeight: 383.4592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCC(C1)O)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C(=O)N1CCC(C1)O)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H25NO6S/c1-18(2,17(23)19-9-8-15(20)11-19)26(24,25)12-14(16(21)22)10-13-6-4-3-5-7-13/h3-7,14-15,20H,8-12H2,1-2H3,(H,21,22)