4-[2-[[(2S)-3-(2-iodanylphenoxy)-2-oxidanyl-propyl]amino]ethylcarbamoylamino]benzoic acid

Systemtic Name: 4-[2-[[(2S)-3-(2-iodanylphenoxy)-2-oxidanyl-propyl]amino]ethylcarbamoylamino]benzoic acid Openeye Name: 4-[2-[[(2S)-2-hydroxy-3-(2-iodophenoxy)propyl]amino]ethylcarbamoylamino]benzoic acid CAS Name: 4-[[[2-[[(2S)-2-hydroxy-3-(2-iodophenoxy)propyl]amino]ethylamino]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[2-[[(2S)-2-hydroxy-3-(2-iodophenoxy)propyl]amino]ethylcarbamoylamino]benzoic acid Traditional Name: 4-[2-[[(2S)-2-hydroxy-3-(2-iodophenoxy)propyl]amino]ethylcarbamoylamino]benzoic acid Formula: C19H22IN3O5 MolecularWeight: 499.29955

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCC(CNCCNC(=O)NC2=CC=C(C=C2)C(=O)O)O)I

Isomeric SMILES

C1=CC=C(C(=C1)OC[C@H](CNCCNC(=O)NC2=CC=C(C=C2)C(=O)O)O)I

InChI

InChI=1S/C19H22IN3O5/c20-16-3-1-2-4-17(16)28-12-15(24)11-21-9-10-22-19(27)23-14-7-5-13(6-8-14)18(25)26/h1-8,15,21,24H,9-12H2,(H,25,26)(H2,22,23,27)/t15-/m0/s1