A1JDC
Summary
| Name: | MIPS-54861 |
| Formula: | C30 H34 N8 O3 |
| Formal charge: | 0 |
| Formula weight: | 554.643 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C30H34N8O3/c1-3-9-37-28(39)23-17-31-29-32-22-5-6-24(36-12-10-35(2)11-13-36)21(16-22)19-41-18-20-14-25(30(40)7-4-8-30)33-26(15-20)38(37)27(23)34-29/h3,5-6,14-17,40H,1,4,7-13,18-19H2,2H3,(H,31,32,34) |
| InChIKey | InChI | 1.06 | OWMUICLZZALLJL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)c2ccc3Nc4ncc5C(=O)N(CC=C)N(c6cc(COCc2c3)cc(n6)C7(O)CCC7)c5n4 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)c2ccc3Nc4ncc5C(=O)N(CC=C)N(c6cc(COCc2c3)cc(n6)C7(O)CCC7)c5n4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)c2ccc3cc2COCc4cc(nc(c4)N5c6c(cnc(n6)N3)C(=O)N5CC=C)C7(CCC7)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)c2ccc3cc2COCc4cc(nc(c4)N5c6c(cnc(n6)N3)C(=O)N5CC=C)C7(CCC7)O |
