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

Systemtic Name: 2-[[1-(cyclopropylamino)-2-methyl-1-oxidanylidene-propan-2-yl]sulfonylmethyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[2-(cyclopropylamino)-1,1-dimethyl-2-oxo-ethyl]sulfonyl-propanoic acid CAS Name: 2-[[1-(cyclopropylamino)-2-methyl-1-oxopropan-2-yl]sulfonylmethyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[1-(cyclopropylamino)-2-methyl-1-oxopropan-2-yl]sulfonylpropanoic acid Traditional Name: 2-benzyl-3-[2-(cyclopropylamino)-2-keto-1,1-dimethyl-ethyl]sulfonyl-propionic acid Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1CC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C(=O)NC1CC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H23NO5S/c1-17(2,16(21)18-14-8-9-14)24(22,23)11-13(15(19)20)10-12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3,(H,18,21)(H,19,20)