(2S)-2-[[(2S)-3-(4-iodophenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2S)-3-(4-iodophenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoylamino]pentanedioic acid Openeye Name: (2S)-2-[[(1S)-2-hydroxy-1-[(4-iodophenyl)methyl]-2-oxo-ethyl]carbamoylamino]pentanedioic acid CAS Name: (2S)-2-[[[[(2S)-1-hydroxy-3-(4-iodophenyl)-1-oxopropan-2-yl]amino]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2S)-1-hydroxy-3-(4-iodophenyl)-1-oxopropan-2-yl]carbamoylamino]pentanedioic acid Traditional Name: (2S)-2-[[(1S)-2-hydroxy-1-(4-iodobenzyl)-2-keto-ethyl]carbamoylamino]glutaric acid Formula: C15H17IN2O7 MolecularWeight: 464.20915

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)I

Isomeric SMILES

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

InChI

InChI=1S/C15H17IN2O7/c16-9-3-1-8(2-4-9)7-11(14(23)24)18-15(25)17-10(13(21)22)5-6-12(19)20/h1-4,10-11H,5-7H2,(H,19,20)(H,21,22)(H,23,24)(H2,17,18,25)/t10-,11-/m0/s1