7-(2-tert-butylsulfanylethanoylamino)heptanoic acid

Systemtic Name: 7-(2-tert-butylsulfanylethanoylamino)heptanoic acid Openeye Name: 7-[(2-tert-butylsulfanylacetyl)amino]heptanoic acid CAS Name: 7-[[2-(tert-butylthio)-1-oxoethyl]amino]heptanoic acid IUPAC Name: 7-[(2-tert-butylsulfanylacetyl)amino]heptanoic acid Traditional Name: 7-[[2-(tert-butylthio)acetyl]amino]enanthic acid Formula: C13H25NO3S MolecularWeight: 275.4075

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(=O)NCCCCCCC(=O)O

Isomeric SMILES

CC(C)(C)SCC(=O)NCCCCCCC(=O)O

InChI

InChI=1S/C13H25NO3S/c1-13(2,3)18-10-11(15)14-9-7-5-4-6-8-12(16)17/h4-10H2,1-3H3,(H,14,15)(H,16,17)