| PDB CCD ID: | A1IIH |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C35 H41 B F2 N6 O5 |
| InChI: | InChI=1S/C35H41BF2N6O5/c1-23-13-24(2)43-29(23)15-28-8-7-27(44(28)36(43,37)38)9-10-31(45)39-11-12-48-30-6-4-3-5-26(30)14-25-16-34(17-25)18-41(19-34)33(47)42-20-35(21-42)22-49-32(46)40-35/h3-8,13,15,25H,9-12,14,16-22H2,1-2H3,(H,39,45)(H,40,46) |
| InChIKey: | IREDGWRMCRGHGX-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC1=CC(=[N+]2C1=Cc3ccc(CCC(=O)NCCOc4ccccc4CC5CC6(C5)CN(C6)C(=O)N7CC8(COC(=O)N8)C7)n3[B-]2(F)F)C | | OpenEye OEToolkits 2.0.7 | [B-]1(n2c(ccc2CCC(=O)NCCOc3ccccc3CC4CC5(C4)CN(C5)C(=O)N6CC7(C6)COC(=O)N7)C=C8[N+]1=C(C=C8C)C)(F)F |
|
| Name: | 3-[2,2-bis(fluoranyl)-10,12-dimethyl-1$l^{4},3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-4-yl]-~{N}-[2-[2-[[2-[(6-oxidanylidene-7-oxa-2,5-diazaspiro[3.4]octan-2-yl)carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]phenoxy]ethyl]propanamide |
