2-azanyl-4-methyl-pentanoic acid; 2-azanyl-4-methylsulfanyl-butanoic acid; 2,6-bis(azanyl)hexanoic acid

Systemtic Name: 2-azanyl-4-methyl-pentanoic acid; 2-azanyl-4-methylsulfanyl-butanoic acid; 2,6-bis(azanyl)hexanoic acid Openeye Name: 2-amino-4-methyl-pentanoic acid; 2-amino-4-methylsulfanyl-butanoic acid; 2,6-diaminohexanoic acid CAS Name: 2-amino-4-methylpentanoic acid; 2-amino-4-(methylthio)butanoic acid; 2,6-diaminohexanoic acid IUPAC Name: 2-amino-4-methylpentanoic acid; 2-amino-4-methylsulfanylbutanoic acid; 2,6-diaminohexanoic acid Traditional Name: 2-amino-4-(methylthio)butyric acid; 2-amino-4-methyl-valeric acid; 2,6-diaminohexanoic acid Formula: C17H38N4O6S MolecularWeight: 426.57182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N.CSCCC(C(=O)O)N.C(CCN)CC(C(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)O)N.CSCCC(C(=O)O)N.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C6H14N2O2.C6H13NO2.C5H11NO2S/c7-4-2-1-3-5(8)6(9)10;1-4(2)3-5(7)6(8)9;1-9-3-2-4(6)5(7)8/h5H,1-4,7-8H2,(H,9,10);4-5H,3,7H2,1-2H3,(H,8,9);4H,2-3,6H2,1H3,(H,7,8)