(2S,5S)-5-oxidanyl-1-[(phenylmethyl)carbamothioyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,5S)-5-oxidanyl-1-[(phenylmethyl)carbamothioyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S,5S)-1-(benzylcarbamothioyl)-5-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: (2S,5S)-5-hydroxy-1-[[(phenylmethyl)amino]-sulfanylidenemethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,5S)-1-(benzylcarbamothioyl)-5-hydroxypyrrolidine-2-carboxylic acid Traditional Name: (2S,5S)-1-(benzylthiocarbamoyl)-5-hydroxy-proline Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1C(=O)O)C(=S)NCC2=CC=CC=C2)O

Isomeric SMILES

C1C[C@@H](N([C@@H]1C(=O)O)C(=S)NCC2=CC=CC=C2)O

InChI

InChI=1S/C13H16N2O3S/c16-11-7-6-10(12(17)18)15(11)13(19)14-8-9-4-2-1-3-5-9/h1-5,10-11,16H,6-8H2,(H,14,19)(H,17,18)/t10-,11-/m0/s1