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

Systemtic Name: 1-[4-azanyl-2-(ethanoylsulfanylmethyl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(acetylsulfanylmethyl)-4-amino-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(acetylthio)methyl]-4-amino-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(acetylsulfanylmethyl)-4-amino-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(acetylthio)methyl]-4-amino-4-keto-butanoyl]proline Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O5S/c1-7(15)20-6-8(5-10(13)16)11(17)14-4-2-3-9(14)12(18)19/h8-9H,2-6H2,1H3,(H2,13,16)(H,18,19)