(2S,3R,4R)-4-(4-azido-2-iodanyl-phenoxy)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,3R,4R)-4-(4-azido-2-iodanyl-phenoxy)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,3R,4R)-4-(4-azido-2-iodanyl-phenoxy)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,3R,4R)-4-(4-azido-2-iodanylphenoxy)-3-(carboxymethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,3R,4R)-4-(4-azido-2-iodanylphenoxy)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,3R,4R)-4-(4-azido-2-iodanyl-phenoxy)-3-(carboxymethyl)proline Formula: C13H13IN4O5 MolecularWeight: 430.170744

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(N1)C(=O)O)CC(=O)O)OC2=C(C=C(C=C2)N=[N+]=[N-])I

Isomeric SMILES

C1[C@@H]([C@@H]([C@H](N1)C(=O)O)CC(=O)O)OC2=C(C=C(C=C2)N=[N+]=[N-])[125I]

InChI

InChI=1S/C13H13IN4O5/c14-8-3-6(17-18-15)1-2-9(8)23-10-5-16-12(13(21)22)7(10)4-11(19)20/h1-3,7,10,12,16H,4-5H2,(H,19,20)(H,21,22)/t7-,10-,12-/m0/s1/i14-2