3,3-dimethyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]butanoic acid

Systemtic Name: 3,3-dimethyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]butanoic acid Openeye Name: 2-[(2-benzylsulfanylacetyl)amino]-3,3-dimethyl-butanoic acid CAS Name: 3,3-dimethyl-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]butanoic acid IUPAC Name: 2-[(2-benzylsulfanylacetyl)amino]-3,3-dimethylbutanoic acid Traditional Name: 2-[[2-(benzylthio)acetyl]amino]-3,3-dimethyl-butyric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)NC(=O)CSCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C(C(=O)O)NC(=O)CSCC1=CC=CC=C1

InChI

InChI=1S/C15H21NO3S/c1-15(2,3)13(14(18)19)16-12(17)10-20-9-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3,(H,16,17)(H,18,19)