(2S,3S,4S)-3-(carboxymethyl)-4-(5-iodanyl-2-oxidanyl-phenyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,3S,4S)-3-(carboxymethyl)-4-(5-iodanyl-2-oxidanyl-phenyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxy-5-iodo-phenyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxy-5-iodophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxy-5-iodophenyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,3S,4S)-3-(carboxymethyl)-4-(2-hydroxy-5-iodo-phenyl)proline Formula: C13H14INO5 MolecularWeight: 391.15843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14INO5/c14-6-1-2-10(16)7(3-6)9-5-15-12(13(19)20)8(9)4-11(17)18/h1-3,8-9,12,15-16H,4-5H2,(H,17,18)(H,19,20)/t8-,9+,12-/m0/s1