| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Ic1cc(cc(I)c1O)CC(C(=O)NCC(=O)O)NC(=O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)NCC(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)N[CH](Cc1cc(I)c(O)c(I)c1)C(=O)NCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@@H](Cc1cc(c(c(c1)I)O)I)C(=O)NCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC(Cc1cc(c(c(c1)I)O)I)C(=O)NCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H14I2N2O5/c1-6(18)17-10(13(22)16-5-11(19)20)4-7-2-8(14)12(21)9(15)3-7/h2-3,10,21H,4-5H2,1H3,(H,16,22)(H,17,18)(H,19,20)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | SXRYVFRVDCDPKH-JTQLQIEISA-N |
