1-[4-azanyl-2-(ethanoylsulfanylmethyl)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-azanyl-2-(ethanoylsulfanylmethyl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(acetylsulfanylmethyl)-4-amino-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(acetylthio)methyl]-4-amino-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(acetylsulfanylmethyl)-4-aminobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(acetylthio)methyl]-4-amino-butanoyl]proline Formula: C12H20N2O4S MolecularWeight: 288.3632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CCN)C(=O)N1CCCC1C(=O)O

Isomeric SMILES

CC(=O)SCC(CCN)C(=O)N1CCCC1C(=O)O

InChI

InChI=1S/C12H20N2O4S/c1-8(15)19-7-9(4-5-13)11(16)14-6-2-3-10(14)12(17)18/h9-10H,2-7,13H2,1H3,(H,17,18)