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

Systemtic Name: (2S)-4-tert-butyl-1-(2-methyl-3-sulfanyl-propanoyl)-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: (2S)-4-tert-butyl-1-(2-methyl-3-sulfanyl-propanoyl)-2,5-dihydropyrrole-2-carboxylic acid CAS Name: (2S)-4-tert-butyl-1-(3-mercapto-2-methyl-1-oxopropyl)-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: (2S)-4-tert-butyl-1-(2-methyl-3-sulfanylpropanoyl)-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: (2S)-4-tert-butyl-1-(3-mercapto-2-methyl-propanoyl)-3-pyrroline-2-carboxylic acid Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO3S/c1-8(7-18)11(15)14-6-9(13(2,3)4)5-10(14)12(16)17/h5,8,10,18H,6-7H2,1-4H3,(H,16,17)/t8?,10-/m0/s1