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

Systemtic Name: 2-[[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-1-oxidanylidene-propan-2-yl]sulfonylmethyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,1-dimethyl-2-oxo-ethyl]sulfonyl-propanoic acid CAS Name: 2-[[1-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-methyl-1-oxopropan-2-yl]sulfonylmethyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]sulfonylpropanoic acid Traditional Name: 2-benzyl-3-[2-keto-1,1-dimethyl-2-(2-methylolpyrrolidino)ethyl]sulfonyl-propionic acid Formula: C19H27NO6S MolecularWeight: 397.48578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCCC1CO)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C(=O)N1CCCC1CO)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H27NO6S/c1-19(2,18(24)20-10-6-9-16(20)12-21)27(25,26)13-15(17(22)23)11-14-7-4-3-5-8-14/h3-5,7-8,15-16,21H,6,9-13H2,1-2H3,(H,22,23)