2-azanyl-3-methyl-pentanoic acid; 2-azanyl-3-sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-methyl-pentanoic acid; 2-azanyl-3-sulfanyl-propanoic acid Openeye Name: 2-amino-3-methyl-pentanoic acid; 2-amino-3-sulfanyl-propanoic acid CAS Name: 2-amino-3-mercaptopropanoic acid; 2-amino-3-methylpentanoic acid IUPAC Name: 2-amino-3-methylpentanoic acid; 2-amino-3-sulfanylpropanoic acid Traditional Name: 2-amino-3-mercapto-propionic acid; 2-amino-3-methyl-valeric acid Formula: C9H20N2O4S MolecularWeight: 252.3311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)N.C(C(C(=O)O)N)S

Isomeric SMILES

CCC(C)C(C(=O)O)N.C(C(C(=O)O)N)S

InChI

InChI=1S/C6H13NO2.C3H7NO2S/c1-3-4(2)5(7)6(8)9;4-2(1-7)3(5)6/h4-5H,3,7H2,1-2H3,(H,8,9);2,7H,1,4H2,(H,5,6)