methyl 2-(heptylcarbamoylamino)-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-(heptylcarbamoylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl 2-(heptylcarbamoylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[(heptylamino)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-(heptylcarbamoylamino)-4-methylsulfanylbutanoate Traditional Name: 2-(heptylcarbamoylamino)-4-(methylthio)butyric acid methyl ester Formula: C14H28N2O3S MolecularWeight: 304.44872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CCCCCCCNC(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C14H28N2O3S/c1-4-5-6-7-8-10-15-14(18)16-12(9-11-20-3)13(17)19-2/h12H,4-11H2,1-3H3,(H2,15,16,18)