| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C3C=CC=C(C(=O)NCCN(CCNC(=O)c1cccc(O)c1O)CCNC(=O)c2cccc(O)c2O)N3O |
| SMILES_CANONICAL | CACTVS | 3.352 | ON1C(=O)C=CC=C1C(=O)NCCN(CCNC(=O)c2cccc(O)c2O)CCNC(=O)c3cccc(O)c3O |
| SMILES | CACTVS | 3.352 | ON1C(=O)C=CC=C1C(=O)NCCN(CCNC(=O)c2cccc(O)c2O)CCNC(=O)c3cccc(O)c3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(c(c1)O)O)C(=O)NCCN(CCNC(=O)c2cccc(c2O)O)CCNC(=O)C3=CC=CC(=O)N3O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(c(c1)O)O)C(=O)NCCN(CCNC(=O)c2cccc(c2O)O)CCNC(=O)C3=CC=CC(=O)N3O |
| InChI | InChI | 1.03 | InChI=1S/C26H29N5O9/c32-19-7-1-4-16(22(19)35)24(37)27-10-13-30(14-11-28-25(38)17-5-2-8-20(33)23(17)36)15-12-29-26(39)18-6-3-9-21(34)31(18)40/h1-9,32-33,35-36,40H,10-15H2,(H,27,37)(H,28,38)(H,29,39) |
| InChIKey | InChI | 1.03 | SHTLBAYLLAIJDF-UHFFFAOYSA-N |
