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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC(=O)N)CN1CCCC1C(=O)O

Isomeric SMILES

CC(=O)SCC(CC(=O)N)CN1CCCC1C(=O)O

InChI

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