2-azanyl-4-methylsulfanyl-butanoic acid; 2-azanyl-3-sulfanyl-propanoic acid; pyrrolidine-2-carboxylic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-butanoic acid; 2-azanyl-3-sulfanyl-propanoic acid; pyrrolidine-2-carboxylic acid Openeye Name: 2-amino-4-methylsulfanyl-butanoic acid; 2-amino-3-sulfanyl-propanoic acid; pyrrolidine-2-carboxylic acid CAS Name: 2-amino-3-mercaptopropanoic acid; 2-amino-4-(methylthio)butanoic acid; 2-pyrrolidinecarboxylic acid IUPAC Name: 2-amino-4-methylsulfanylbutanoic acid; 2-amino-3-sulfanylpropanoic acid; pyrrolidine-2-carboxylic acid Traditional Name: 2-amino-3-mercapto-propionic acid; 2-amino-4-(methylthio)butyric acid; proline Formula: C13H27N3O6S2 MolecularWeight: 385.49998

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)N.C1CC(NC1)C(=O)O.C(C(C(=O)O)N)S

Isomeric SMILES

CSCCC(C(=O)O)N.C1CC(NC1)C(=O)O.C(C(C(=O)O)N)S

InChI

InChI=1S/C5H11NO2S.C5H9NO2.C3H7NO2S/c1-9-3-2-4(6)5(7)8;7-5(8)4-2-1-3-6-4;4-2(1-7)3(5)6/h4H,2-3,6H2,1H3,(H,7,8);4,6H,1-3H2,(H,7,8);2,7H,1,4H2,(H,5,6)