1-[2-(aminomethyl)-3-ethanoylsulfanyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(aminomethyl)-3-ethanoylsulfanyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(acetylsulfanylmethyl)-3-amino-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(acetylthio)methyl]-3-amino-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(acetylsulfanylmethyl)-3-aminopropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(acetylthio)methyl]-3-amino-propanoyl]proline Formula: C11H18N2O4S MolecularWeight: 274.33662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O4S/c1-7(14)18-6-8(5-12)10(15)13-4-2-3-9(13)11(16)17/h8-9H,2-6,12H2,1H3,(H,16,17)