Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(c5c4c(cc(N1C(COC1=O)c2cc(F)c(cc2)B(O)O)c(C3CC3)c4)oc5c6ccc(cc6)F)(NC)=O |
InChI | InChI | 1.03 | InChI=1S/C28H23BF2N2O6/c1-32-27(34)25-19-11-18(14-2-3-14)22(12-24(19)39-26(25)15-4-7-17(30)8-5-15)33-23(13-38-28(33)35)16-6-9-20(29(36)37)21(31)10-16/h4-12,14,23,36-37H,2-3,13H2,1H3,(H,32,34)/t23-/m1/s1 |
InChIKey | InChI | 1.03 | PZMMURFIDMHRSQ-HSZRJFAPSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1c(oc2cc(N3[C@H](COC3=O)c4ccc(B(O)O)c(F)c4)c(cc12)C5CC5)c6ccc(F)cc6 |
SMILES | CACTVS | 3.385 | CNC(=O)c1c(oc2cc(N3[CH](COC3=O)c4ccc(B(O)O)c(F)c4)c(cc12)C5CC5)c6ccc(F)cc6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B(c1ccc(cc1F)[C@H]2COC(=O)N2c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)(O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | B(c1ccc(cc1F)C2COC(=O)N2c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)(O)O |