3-[1-(2-methylbutan-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[1-(2-methylbutan-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid Openeye Name: 3-[2-(1,1-dimethylpropylamino)-1-methyl-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]thio]propanoic acid IUPAC Name: 3-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[2-(tert-amylamino)-2-keto-1-methyl-ethyl]thio]propionic acid Formula: C11H21NO3S MolecularWeight: 247.35434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C(C)SCCC(=O)O

Isomeric SMILES

CCC(C)(C)NC(=O)C(C)SCCC(=O)O

InChI

InChI=1S/C11H21NO3S/c1-5-11(3,4)12-10(15)8(2)16-7-6-9(13)14/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)