(2R,3S,4S)-3-(carboxymethyl)-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2R,3S,4S)-3-(carboxymethyl)-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2R,3S,4S)-3-(carboxymethyl)-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid CAS Name: (2R,3S,4S)-3-(carboxymethyl)-4-(phenylthio)-2-pyrrolidinecarboxylic acid IUPAC Name: (2R,3S,4S)-3-(carboxymethyl)-4-phenylsulfanylpyrrolidine-2-carboxylic acid Traditional Name: (2R,3S,4S)-3-(carboxymethyl)-4-(phenylthio)proline Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(N1)C(=O)O)CC(=O)O)SC2=CC=CC=C2

Isomeric SMILES

C1[C@H]([C@H]([C@@H](N1)C(=O)O)CC(=O)O)SC2=CC=CC=C2

InChI

InChI=1S/C13H15NO4S/c15-11(16)6-9-10(7-14-12(9)13(17)18)19-8-4-2-1-3-5-8/h1-5,9-10,12,14H,6-7H2,(H,15,16)(H,17,18)/t9-,10-,12-/m1/s1