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

Systemtic Name: 2-azanylbutanedioic acid; 2-azanyl-4-methyl-pentanoic acid; 2-azanyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-aminobutanedioic acid; 2-amino-4-methyl-pentanoic acid; 2-amino-4-methylsulfanyl-butanoic acid CAS Name: 2-aminobutanedioic acid; 2-amino-4-methylpentanoic acid; 2-amino-4-(methylthio)butanoic acid IUPAC Name: 2-aminobutanedioic acid; 2-amino-4-methylpentanoic acid; 2-amino-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-4-(methylthio)butyric acid; 2-amino-4-methyl-valeric acid; 2-aminosuccinic acid Formula: C15H31N3O8S MolecularWeight: 413.48694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H13NO2.C5H11NO2S.C4H7NO4/c1-4(2)3-5(7)6(8)9;1-9-3-2-4(6)5(7)8;5-2(4(8)9)1-3(6)7/h4-5H,3,7H2,1-2H3,(H,8,9);4H,2-3,6H2,1H3,(H,7,8);2H,1,5H2,(H,6,7)(H,8,9)