hexyl (2S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: hexyl (2S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: hexyl (2S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid hexyl ester IUPAC Name: hexyl (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-3-mercapto-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid hexyl ester Formula: C15H27NO3S MolecularWeight: 301.44478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1CCCN1C(=O)C(C)CS

Isomeric SMILES

CCCCCCOC(=O)[C@@H]1CCCN1C(=O)[C@H](C)CS

InChI

InChI=1S/C15H27NO3S/c1-3-4-5-6-10-19-15(18)13-8-7-9-16(13)14(17)12(2)11-20/h12-13,20H,3-11H2,1-2H3/t12-,13+/m1/s1