| PDB CCD ID: | Y7A |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C27 H33 N7 O4 |
| InChI: | InChI=1S/C27H33N7O4/c1-32(2)24-10-19(11-25(28-24)38-16-17-5-7-37-8-6-17)27(36)34-14-20-12-33(13-21(20)15-34)26(35)18-3-4-22-23(9-18)30-31-29-22/h3-4,9-11,17,20-21H,5-8,12-16H2,1-2H3,(H,29,30,31) |
| InChIKey: | XTVNPWUYIUFOIQ-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CN(C)c1cc(cc(n1)OCC2CCOCC2)C(=O)N3C[C@@H]4CN(C[C@H]4C3)C(=O)c5ccc6c(c5)nn[nH]6 | | OpenEye OEToolkits 2.0.7 | CN(C)c1cc(cc(n1)OCC2CCOCC2)C(=O)N3CC4CN(CC4C3)C(=O)c5ccc6c(c5)nn[nH]6 | | ACDLabs 12.01 | O=C(c1ccc2[NH]nnc2c1)N1CC2CN(CC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)N(C)C | | CACTVS 3.385 | CN(C)c1cc(cc(OCC2CCOCC2)n1)C(=O)N3C[CH]4CN(C[CH]4C3)C(=O)c5ccc6[nH]nnc6c5 | | CACTVS 3.385 | CN(C)c1cc(cc(OCC2CCOCC2)n1)C(=O)N3C[C@@H]4CN(C[C@H]4C3)C(=O)c5ccc6[nH]nnc6c5 |
|
| Name: | [(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]{2-(dimethylamino)-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone |
