2-azanyl-3-methyl-pentanoic acid; 2-azanyl-4-methyl-pentanoic acid; 2-azanyl-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-azanyl-3-methyl-pentanoic acid; 2-azanyl-4-methyl-pentanoic acid; 2-azanyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-amino-3-methyl-pentanoic acid; 2-amino-4-methyl-pentanoic acid; 2-amino-4-methylsulfanyl-butanoic acid CAS Name: 2-amino-3-methylpentanoic acid; 2-amino-4-methylpentanoic acid; 2-amino-4-(methylthio)butanoic acid IUPAC Name: 2-amino-3-methylpentanoic acid; 2-amino-4-methylpentanoic acid; 2-amino-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-4-(methylthio)butyric acid; 2-amino-3-methyl-valeric acid; 2-amino-4-methyl-valeric acid Formula: C17H37N3O6S MolecularWeight: 411.55718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H13NO2.C5H11NO2S/c1-4(2)3-5(7)6(8)9;1-3-4(2)5(7)6(8)9;1-9-3-2-4(6)5(7)8/h2*4-5H,3,7H2,1-2H3,(H,8,9);4H,2-3,6H2,1H3,(H,7,8)