2-azanyl-4-methylsulfanyl-butanoic acid; methyl 2-[(5-azanyl-5-oxidanylidene-pentyl)amino]-3-methyl-pentanoate

Systemtic Name: 2-azanyl-4-methylsulfanyl-butanoic acid; methyl 2-[(5-azanyl-5-oxidanylidene-pentyl)amino]-3-methyl-pentanoate Openeye Name: 2-amino-4-methylsulfanyl-butanoic acid; methyl 2-[(5-amino-5-oxo-pentyl)amino]-3-methyl-pentanoate CAS Name: 2-amino-4-(methylthio)butanoic acid; 2-[(5-amino-5-oxopentyl)amino]-3-methylpentanoic acid methyl ester IUPAC Name: 2-amino-4-methylsulfanylbutanoic acid; methyl 2-[(5-amino-5-oxopentyl)amino]-3-methylpentanoate Traditional Name: 2-[(5-amino-5-keto-pentyl)amino]-3-methyl-valeric acid methyl ester; 2-amino-4-(methylthio)butyric acid Formula: C17H35N3O5S MolecularWeight: 393.5419

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NCCCCC(=O)N.CSCCC(C(=O)O)N

Isomeric SMILES

CCC(C)C(C(=O)OC)NCCCCC(=O)N.CSCCC(C(=O)O)N

InChI

InChI=1S/C12H24N2O3.C5H11NO2S/c1-4-9(2)11(12(16)17-3)14-8-6-5-7-10(13)15;1-9-3-2-4(6)5(7)8/h9,11,14H,4-8H2,1-3H3,(H2,13,15);4H,2-3,6H2,1H3,(H,7,8)