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

Systemtic Name: methyl 2-(hexylcarbamoylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl 2-(hexylcarbamoylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[(hexylamino)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-(hexylcarbamoylamino)-4-methylsulfanylbutanoate Traditional Name: 2-(hexylcarbamoylamino)-4-(methylthio)butyric acid methyl ester Formula: C13H26N2O3S MolecularWeight: 290.42214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H26N2O3S/c1-4-5-6-7-9-14-13(17)15-11(8-10-19-3)12(16)18-2/h11H,4-10H2,1-3H3,(H2,14,15,17)