| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccc(c(c1)C(=O)N(C(C)C)C(C)C)Oc5c(N2CC3(C2)CCN(CC3)CC4CCC(CC4)NS(=O)(C)=O)ncnc5 |
| InChI | InChI | 1.03 | InChI=1S/C32H47FN6O4S/c1-22(2)39(23(3)4)31(40)27-16-25(33)8-11-28(27)43-29-17-34-21-35-30(29)38-19-32(20-38)12-14-37(15-13-32)18-24-6-9-26(10-7-24)36-44(5,41)42/h8,11,16-17,21-24,26,36H,6-7,9-10,12-15,18-20H2,1-5H3/t24-,26- |
| InChIKey | InChI | 1.03 | ADHHOUXZPBYYSU-YOCNBXQISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc2cncnc2N3CC4(CCN(CC4)C[C@@H]5CC[C@H](CC5)N[S](C)(=O)=O)C3 |
| SMILES | CACTVS | 3.385 | CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc2cncnc2N3CC4(CCN(CC4)C[CH]5CC[CH](CC5)N[S](C)(=O)=O)C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)N(C(C)C)C(=O)c1cc(ccc1Oc2cncnc2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)C)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)N(C(C)C)C(=O)c1cc(ccc1Oc2cncnc2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)C)F |
