7IU
Summary
| Name: | (1S,20E)-10-(benzofuran-3-ylmethyl)-12-methyl-15,18-dioxa-5,9,12,24,26-pentazapentacyclo[20.5.2.11,4.13,7.025,28]hentriaconta-3(30),4,6,20,22(29),23,25(28)-heptaene-8,11,27-trione |
| Formula: | C34 H33 N5 O6 |
| Formal charge: | 0 |
| Formula weight: | 607.656 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/C34H33N5O6/c1-39-8-10-44-12-11-43-9-4-5-21-13-26-30(36-18-21)38-33(42)34(26)16-22-14-23(19-35-28(22)17-34)31(40)37-27(32(39)41)15-24-20-45-29-7-3-2-6-25(24)29/h2-7,13-14,18-20,27H,8-12,15-17H2,1H3,(H,37,40)(H,36,38,42)/b5-4+/t27-,34+/m1/s1 |
| InChIKey | InChI | 1.03 | RETFPWRXLRKPLP-INILNPPNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCOCCOC/C=C/c2cnc3NC(=O)[C@]4(Cc5cc(cnc5C4)C(=O)N[C@H](Cc6coc7ccccc67)C1=O)c3c2 |
| SMILES | CACTVS | 3.385 | CN1CCOCCOCC=Cc2cnc3NC(=O)[C]4(Cc5cc(cnc5C4)C(=O)N[CH](Cc6coc7ccccc67)C1=O)c3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCOCCOC/C=C/c2cc3c(nc2)NC(=O)[C@]34Cc5cc(cnc5C4)C(=O)N[C@@H](C1=O)Cc6coc7c6cccc7 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCOCCOCC=Cc2cc3c(nc2)NC(=O)C34Cc5cc(cnc5C4)C(=O)NC(C1=O)Cc6coc7c6cccc7 |
