2-[[1-[3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-methyl-1-oxidanylidene-propan-2-yl]sulfonylmethyl]-3-phenyl-propanoate

Systemtic Name: 2-[[1-[3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-methyl-1-oxidanylidene-propan-2-yl]sulfonylmethyl]-3-phenyl-propanoate Openeye Name: 2-benzyl-3-[2-(3,4-dihydroxypyrrolidin-1-yl)-1,1-dimethyl-2-oxo-ethyl]sulfonyl-propanoate CAS Name: 2-[[1-(3,4-dihydroxy-1-pyrrolidinyl)-2-methyl-1-oxopropan-2-yl]sulfonylmethyl]-3-phenylpropanoate IUPAC Name: 2-benzyl-3-[1-(3,4-dihydroxypyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]sulfonylpropanoate Traditional Name: 2-benzyl-3-[2-(3,4-dihydroxypyrrolidino)-2-keto-1,1-dimethyl-ethyl]sulfonyl-propionate Formula: C18H24NO7S- MolecularWeight: 398.45066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CC(C(C1)O)O)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C(=O)N1CC(C(C1)O)O)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C18H25NO7S/c1-18(2,17(24)19-9-14(20)15(21)10-19)27(25,26)11-13(16(22)23)8-12-6-4-3-5-7-12/h3-7,13-15,20-21H,8-11H2,1-2H3,(H,22,23)/p-1