1-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-hydroxy-1-[3-[(2-methylthiazol-4-yl)methylsulfanyl]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 4-hydroxy-1-[3-[(2-methyl-4-thiazolyl)methylthio]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-hydroxy-1-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-hydroxy-1-[3-[(2-methylthiazol-4-yl)methylthio]propanoyl]proline Formula: C13H18N2O4S2 MolecularWeight: 330.42302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSCCC(=O)N2CC(CC2C(=O)O)O

Isomeric SMILES

CC1=NC(=CS1)CSCCC(=O)N2CC(CC2C(=O)O)O

InChI

InChI=1S/C13H18N2O4S2/c1-8-14-9(7-21-8)6-20-3-2-12(17)15-5-10(16)4-11(15)13(18)19/h7,10-11,16H,2-6H2,1H3,(H,18,19)