methyl 4-methylsulfanyl-2-(pentylcarbamoylamino)butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-(pentylcarbamoylamino)butanoate Openeye Name: methyl 4-methylsulfanyl-2-(pentylcarbamoylamino)butanoate CAS Name: 4-(methylthio)-2-[[oxo-(pentylamino)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-(pentylcarbamoylamino)butanoate Traditional Name: 2-(amylcarbamoylamino)-4-(methylthio)butyric acid methyl ester Formula: C12H24N2O3S MolecularWeight: 276.39556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H24N2O3S/c1-4-5-6-8-13-12(16)14-10(7-9-18-3)11(15)17-2/h10H,4-9H2,1-3H3,(H2,13,14,16)