(2S)-1-[2-methyl-3-(oxan-2-ylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-methyl-3-(oxan-2-ylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-(2-methyl-3-tetrahydropyran-2-ylsulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-methyl-3-(2-oxanylthio)-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-methyl-3-(oxan-2-ylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-methyl-3-(tetrahydropyran-2-ylthio)propanoyl]proline Formula: C14H23NO4S MolecularWeight: 301.40172

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1CCCCO1)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(CSC1CCCCO1)C(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C14H23NO4S/c1-10(9-20-12-6-2-3-8-19-12)13(16)15-7-4-5-11(15)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/t10?,11-,12?/m0/s1