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: C12H27N3O6S2 MolecularWeight: 373.48928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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