(2S)-2-[[1-(dimethylamino)-2-methyl-propan-2-yl]sulfonylmethyl]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[1-(dimethylamino)-2-methyl-propan-2-yl]sulfonylmethyl]-3-phenyl-propanoic acid Openeye Name: (2S)-2-benzyl-3-[2-(dimethylamino)-1,1-dimethyl-ethyl]sulfonyl-propanoic acid CAS Name: (2S)-2-[[1-(dimethylamino)-2-methylpropan-2-yl]sulfonylmethyl]-3-phenylpropanoic acid IUPAC Name: (2S)-2-benzyl-3-[1-(dimethylamino)-2-methylpropan-2-yl]sulfonylpropanoic acid Traditional Name: (2S)-2-benzyl-3-[2-(dimethylamino)-1,1-dimethyl-ethyl]sulfonyl-propionic acid Formula: C16H25NO4S MolecularWeight: 327.439

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN(C)C)S(=O)(=O)CC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)(CN(C)C)S(=O)(=O)C[C@@H](CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C16H25NO4S/c1-16(2,12-17(3)4)22(20,21)11-14(15(18)19)10-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,18,19)/t14-/m1/s1