(2S)-2-[[(2S)-3-(3-iodanyl-4-oxidanyl-phenyl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]carbamoylamino]pentanedioate

Systemtic Name: (2S)-2-[[(2S)-3-(3-iodanyl-4-oxidanyl-phenyl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]carbamoylamino]pentanedioate Openeye Name: (2S)-2-[[(1S)-1-[(4-hydroxy-3-iodo-phenyl)methyl]-2-oxido-2-oxo-ethyl]carbamoylamino]pentanedioate CAS Name: (2S)-2-[[[[(2S)-3-(4-hydroxy-3-iodophenyl)-1-oxido-1-oxopropan-2-yl]amino]-oxomethyl]amino]pentanedioate IUPAC Name: (2S)-2-[[(2S)-3-(4-hydroxy-3-iodophenyl)-1-oxido-1-oxopropan-2-yl]carbamoylamino]pentanedioate Traditional Name: (2S)-2-[[(1S)-1-(4-hydroxy-3-iodo-benzyl)-2-keto-2-oxido-ethyl]carbamoylamino]glutarate Formula: C15H14IN2O8-3 MolecularWeight: 477.18473

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)[O-])NC(=O)NC(CCC(=O)[O-])C(=O)[O-])I)O

Isomeric SMILES

C1=CC(=C(C=C1C[C@@H](C(=O)[O-])NC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])I)O

InChI

InChI=1S/C15H17IN2O8/c16-8-5-7(1-3-11(8)19)6-10(14(24)25)18-15(26)17-9(13(22)23)2-4-12(20)21/h1,3,5,9-10,19H,2,4,6H2,(H,20,21)(H,22,23)(H,24,25)(H2,17,18,26)/p-3/t9-,10-/m0/s1