(2S)-1-(2-methyl-3-sulfanyl-propanoyl)-4-oxidanyl-4-phenyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-(2-methyl-3-sulfanyl-propanoyl)-4-oxidanyl-4-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-4-hydroxy-1-(2-methyl-3-sulfanyl-propanoyl)-4-phenyl-pyrrolidine-2-carboxylic acid CAS Name: (2S)-4-hydroxy-1-(3-mercapto-2-methyl-1-oxopropyl)-4-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-4-hydroxy-1-(2-methyl-3-sulfanylpropanoyl)-4-phenylpyrrolidine-2-carboxylic acid Traditional Name: (2S)-4-hydroxy-1-(3-mercapto-2-methyl-propanoyl)-4-phenyl-proline Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)(C2=CC=CC=C2)O

Isomeric SMILES

CC(CS)C(=O)N1CC(C[C@H]1C(=O)O)(C2=CC=CC=C2)O

InChI

InChI=1S/C15H19NO4S/c1-10(8-21)13(17)16-9-15(20,7-12(16)14(18)19)11-5-3-2-4-6-11/h2-6,10,12,20-21H,7-9H2,1H3,(H,18,19)/t10?,12-,15?/m0/s1