1-[2-(ethanoylsulfanylmethyl)-6-methyl-5-oxidanyl-heptanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(ethanoylsulfanylmethyl)-6-methyl-5-oxidanyl-heptanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(acetylsulfanylmethyl)-5-hydroxy-6-methyl-heptanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(acetylthio)methyl]-5-hydroxy-6-methyl-1-oxoheptyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(acetylsulfanylmethyl)-5-hydroxy-6-methylheptanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(acetylthio)methyl]-5-hydroxy-6-methyl-heptanoyl]proline Formula: C16H27NO5S MolecularWeight: 345.45428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(CSC(=O)C)C(=O)N1CCCC1C(=O)O)O

Isomeric SMILES

CC(C)C(CCC(CSC(=O)C)C(=O)N1CCCC1C(=O)O)O

InChI

InChI=1S/C16H27NO5S/c1-10(2)14(19)7-6-12(9-23-11(3)18)15(20)17-8-4-5-13(17)16(21)22/h10,12-14,19H,4-9H2,1-3H3,(H,21,22)