methyl 2-[(2-azanyl-3-methyl-pentanoyl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(2-azanyl-3-methyl-pentanoyl)amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(2-amino-3-methyl-pentanoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[(2-amino-3-methyl-1-oxopentyl)amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(2-amino-3-methylpentanoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-amino-3-methyl-pentanoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C12H24N2O3S MolecularWeight: 276.39556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCSC)C(=O)OC)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CCSC)C(=O)OC)N

InChI

InChI=1S/C12H24N2O3S/c1-5-8(2)10(13)11(15)14-9(6-7-18-4)12(16)17-3/h8-10H,5-7,13H2,1-4H3,(H,14,15)