(2S)-4-cyclohexyl-1-(2-methyl-3-sulfanyl-propanoyl)-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: (2S)-4-cyclohexyl-1-(2-methyl-3-sulfanyl-propanoyl)-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: (2S)-4-cyclohexyl-1-(2-methyl-3-sulfanyl-propanoyl)-2,5-dihydropyrrole-2-carboxylic acid CAS Name: (2S)-4-cyclohexyl-1-(3-mercapto-2-methyl-1-oxopropyl)-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: (2S)-4-cyclohexyl-1-(2-methyl-3-sulfanylpropanoyl)-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: (2S)-4-cyclohexyl-1-(3-mercapto-2-methyl-propanoyl)-3-pyrroline-2-carboxylic acid Formula: C15H23NO3S MolecularWeight: 297.41302

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(=CC1C(=O)O)C2CCCCC2

Isomeric SMILES

CC(CS)C(=O)N1CC(=C[C@H]1C(=O)O)C2CCCCC2

InChI

InChI=1S/C15H23NO3S/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)11-5-3-2-4-6-11/h7,10-11,13,20H,2-6,8-9H2,1H3,(H,18,19)/t10?,13-/m0/s1