2-[cyclopentyl-[2-(2,2-dimethylpropanoylsulfanyl)phenyl]carbonyl-amino]ethanoic acid

Systemtic Name: 2-[cyclopentyl-[2-(2,2-dimethylpropanoylsulfanyl)phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-[cyclopentyl-[2-(2,2-dimethylpropanoylsulfanyl)benzoyl]amino]acetic acid CAS Name: 2-[cyclopentyl-[[2-[(2,2-dimethyl-1-oxopropyl)thio]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[cyclopentyl-[2-(2,2-dimethylpropanoylsulfanyl)benzoyl]amino]acetic acid Traditional Name: 2-[cyclopentyl-[2-(pivaloylthio)benzoyl]amino]acetic acid Formula: C19H25NO4S MolecularWeight: 363.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)SC1=CC=CC=C1C(=O)N(CC(=O)O)C2CCCC2

Isomeric SMILES

CC(C)(C)C(=O)SC1=CC=CC=C1C(=O)N(CC(=O)O)C2CCCC2

InChI

InChI=1S/C19H25NO4S/c1-19(2,3)18(24)25-15-11-7-6-10-14(15)17(23)20(12-16(21)22)13-8-4-5-9-13/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,21,22)