(2S)-2-[[4-(3-iodanyl-4-oxidanylidene-butyl)phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-(3-iodanyl-4-oxidanylidene-butyl)phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-(3-iodo-4-oxo-butyl)benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-(3-iodo-4-oxobutyl)phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-(3-iodo-4-oxobutyl)benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-(3-iodo-4-keto-butyl)benzoyl]amino]glutaric acid Formula: C16H18INO6 MolecularWeight: 447.22169

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(C=O)I)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCC(C=O)I)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C16H18INO6/c17-12(9-19)6-3-10-1-4-11(5-2-10)15(22)18-13(16(23)24)7-8-14(20)21/h1-2,4-5,9,12-13H,3,6-8H2,(H,18,22)(H,20,21)(H,23,24)/t12?,13-/m0/s1