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

Systemtic Name: 2-[[2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxidanylidene-propan-2-yl]sulfonylmethyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[1,1-dimethyl-2-[methyl-[2-(2-pyridyl)ethyl]amino]-2-oxo-ethyl]sulfonyl-propanoic acid CAS Name: 2-[[2-methyl-1-[methyl-[2-(2-pyridinyl)ethyl]amino]-1-oxopropan-2-yl]sulfonylmethyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]sulfonylpropanoic acid Traditional Name: 2-benzyl-3-[2-keto-1,1-dimethyl-2-[methyl-[2-(2-pyridyl)ethyl]amino]ethyl]sulfonyl-propionic acid Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N(C)CCC1=CC=CC=N1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C(=O)N(C)CCC1=CC=CC=N1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H28N2O5S/c1-22(2,21(27)24(3)14-12-19-11-7-8-13-23-19)30(28,29)16-18(20(25)26)15-17-9-5-4-6-10-17/h4-11,13,18H,12,14-16H2,1-3H3,(H,25,26)