7IR
Summary
| Name: | (1S,10R,23E)-12-methyl-10-[(7-methyl-1H-indazol-5-yl)methyl]-15,18,21-trioxa-5,9,12,27,29-pentazapentacyclo[23.5.2.11,4.13,7.028,31]tetratriaconta-3(33),4,6,23,25(32),26,28(31)-heptaene-8,11,30-trione |
| Formula: | C36 H39 N7 O6 |
| Formal charge: | 0 |
| Formula weight: | 665.738 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 | 1.03 | InChI=1S/C36H39N7O6/c1-22-12-24(13-26-21-39-42-31(22)26)15-29-34(45)43(2)5-7-48-9-11-49-10-8-47-6-3-4-23-14-28-32(38-19-23)41-35(46)36(28)17-25-16-27(33(44)40-29)20-37-30(25)18-36/h3-4,12-14,16,19-21,29H,5-11,15,17-18H2,1-2H3,(H,39,42)(H,40,44)(H,38,41,46)/b4-3+/t29-,36+/m1/s1 |
| InChIKey | InChI | 1.03 | WFNICSMUXDNGSD-UIPUDODGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCOCCOCCOC/C=C/c2cnc3NC(=O)[C@]4(Cc5cc(cnc5C4)C(=O)N[C@H](Cc6cc(C)c7[nH]ncc7c6)C1=O)c3c2 |
| SMILES | CACTVS | 3.385 | CN1CCOCCOCCOCC=Cc2cnc3NC(=O)[C]4(Cc5cc(cnc5C4)C(=O)N[CH](Cc6cc(C)c7[nH]ncc7c6)C1=O)c3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc2c1[nH]nc2)C[C@@H]3C(=O)N(CCOCCOCCOC/C=C/c4cc5c(nc4)NC(=O)[C@]56Cc7cc(cnc7C6)C(=O)N3)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc2c1[nH]nc2)CC3C(=O)N(CCOCCOCCOCC=Cc4cc5c(nc4)NC(=O)C56Cc7cc(cnc7C6)C(=O)N3)C |
