2-azanyl-4-methylsulfanyl-butanoic acid; methyl 2-acetamido-4-methyl-pentanoate

Systemtic Name: 2-azanyl-4-methylsulfanyl-butanoic acid; methyl 2-acetamido-4-methyl-pentanoate Openeye Name: 2-amino-4-methylsulfanyl-butanoic acid; methyl 2-acetamido-4-methyl-pentanoate CAS Name: 2-acetamido-4-methylpentanoic acid methyl ester; 2-amino-4-(methylthio)butanoic acid IUPAC Name: 2-amino-4-methylsulfanylbutanoic acid; methyl 2-acetamido-4-methylpentanoate Traditional Name: 2-acetamido-4-methyl-valeric acid methyl ester; 2-amino-4-(methylthio)butyric acid Formula: C14H28N2O5S MolecularWeight: 336.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C.CSCCC(C(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C.CSCCC(C(=O)O)N

InChI

InChI=1S/C9H17NO3.C5H11NO2S/c1-6(2)5-8(9(12)13-4)10-7(3)11;1-9-3-2-4(6)5(7)8/h6,8H,5H2,1-4H3,(H,10,11);4H,2-3,6H2,1H3,(H,7,8)