2-(2,2-dimethylpropanoylamino)-3-(4-phenoxyphenyl)sulfonyl-propanoic acid

Systemtic Name: 2-(2,2-dimethylpropanoylamino)-3-(4-phenoxyphenyl)sulfonyl-propanoic acid Openeye Name: 2-(2,2-dimethylpropanoylamino)-3-(4-phenoxyphenyl)sulfonyl-propanoic acid CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-3-(4-phenoxyphenyl)sulfonylpropanoic acid IUPAC Name: 2-(2,2-dimethylpropanoylamino)-3-(4-phenoxyphenyl)sulfonylpropanoic acid Traditional Name: 3-(4-phenoxyphenyl)sulfonyl-2-(pivaloylamino)propionic acid Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)NC(CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H23NO6S/c1-20(2,3)19(24)21-17(18(22)23)13-28(25,26)16-11-9-15(10-12-16)27-14-7-5-4-6-8-14/h4-12,17H,13H2,1-3H3,(H,21,24)(H,22,23)