| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C=C([O-])/C(C=C1CC(C(=O)O)N)=[NH+]/NCc2ccc(O)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C16H17N3O5/c17-12(16(23)24)5-10-6-13(15(22)7-14(10)21)19-18-8-9-1-3-11(20)4-2-9/h1-4,6-7,12,18,20,22H,5,8,17H2,(H,23,24)/b19-13+/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | RJWQUSDGNJBNSR-NHLWYUBBSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CC1=CC(=[NH+]NCc2ccc(O)cc2)C(=CC1=O)[O-])C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CC1=CC(=[NH+]NCc2ccc(O)cc2)C(=CC1=O)[O-])C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CN/[NH+]=C/2\C=C(C(=O)C=C2[O-])C[C@@H](C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CN[NH+]=C2C=C(C(=O)C=C2[O-])CC(C(=O)O)N)O |
