| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)C=1C(=O)C2(O)C(=O)c3c(O)c4c(OC(=O)c5ncccn5)cccc4c(C)c3CC2C(N(C)C)C=1O |
| InChI | InChI | 1.06 | InChI=1S/C27H24N4O8/c1-11-12-6-4-7-15(39-26(37)25-29-8-5-9-30-25)16(12)20(32)17-13(11)10-14-19(31(2)3)21(33)18(24(28)36)23(35)27(14,38)22(17)34/h4-9,14,19,32-33,38H,10H2,1-3H3,(H2,28,36)/t14-,19-,27-/m0/s1 |
| InChIKey | InChI | 1.06 | DFIDZPZXUCCNPB-DCOBRAFBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)[C@H]1[C@@H]2Cc3c(C)c4cccc(OC(=O)c5ncccn5)c4c(O)c3C(=O)[C@]2(O)C(=O)C(=C1O)C(N)=O |
| SMILES | CACTVS | 3.385 | CN(C)[CH]1[CH]2Cc3c(C)c4cccc(OC(=O)c5ncccn5)c4c(O)c3C(=O)[C]2(O)C(=O)C(=C1O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c2cccc(c2c(c3c1C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)OC(=O)c5ncccn5 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c2cccc(c2c(c3c1CC4C(C(=C(C(=O)C4(C3=O)O)C(=O)N)O)N(C)C)O)OC(=O)c5ncccn5 |
