methyl 2-(3-methylbutylcarbamoylamino)-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-(3-methylbutylcarbamoylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl 2-(isopentylcarbamoylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[(3-methylbutylamino)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-(3-methylbutylcarbamoylamino)-4-methylsulfanylbutanoate Traditional Name: 2-(isoamylcarbamoylamino)-4-(methylthio)butyric acid methyl ester Formula: C12H24N2O3S MolecularWeight: 276.39556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC(C)CCNC(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C12H24N2O3S/c1-9(2)5-7-13-12(16)14-10(6-8-18-4)11(15)17-3/h9-10H,5-8H2,1-4H3,(H2,13,14,16)