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

Systemtic Name: (2S,3S,4S)-3-(carboxymethyl)-4-(5-iodanyl-2-methoxy-phenyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,3S,4S)-3-(carboxymethyl)-4-(5-iodo-2-methoxy-phenyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,3S,4S)-3-(carboxymethyl)-4-(5-iodo-2-methoxyphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,3S,4S)-3-(carboxymethyl)-4-(5-iodo-2-methoxyphenyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,3S,4S)-3-(carboxymethyl)-4-(5-iodo-2-methoxy-phenyl)proline Formula: C14H16INO5 MolecularWeight: 405.18501

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)I)C2CNC(C2CC(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)I)[C@H]2CN[C@@H]([C@H]2CC(=O)O)C(=O)O

InChI

InChI=1S/C14H16INO5/c1-21-11-3-2-7(15)4-8(11)10-6-16-13(14(19)20)9(10)5-12(17)18/h2-4,9-10,13,16H,5-6H2,1H3,(H,17,18)(H,19,20)/t9-,10+,13-/m0/s1