A1IYD
Summary
| Name: | N-(2-(2-(2-((S)-6-chloro-2-methyl-4-phenylquinazolin-3(4H)-yl)ethoxy)ethoxy)ethyl)-2-(2-(2-((2-((3~{R})-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)ethoxy)acetamide |
| Formula: | C40 H45 Cl N6 O9 |
| Formal charge: | 0 |
| Formula weight: | 789.273 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[2-[2-[[2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]-1,3-bis(oxidanylidene)isoindol-4-yl]amino]ethoxy]ethoxy]-~{N}-[2-[2-[2-[(4~{S})-6-chloranyl-2-methyl-4-phenyl-4~{H}-quinazolin-3-yl]ethoxy]ethoxy]ethyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C40H45ClN6O9/c1-26-44-31-11-10-28(41)24-30(31)37(27-6-3-2-4-7-27)46(26)16-19-55-21-20-54-18-15-43-35(49)25-56-23-22-53-17-14-42-32-9-5-8-29-36(32)40(52)47(39(29)51)33-12-13-34(48)45-38(33)50/h2-11,24,33,37,42H,12-23,25H2,1H3,(H,43,49)(H,45,48,50)/t33-,37+/m1/s1 |
| InChIKey | InChI | 1.06 | PZEXGMIVUOOMBF-GOJCVTOHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=Nc2ccc(Cl)cc2[C@@H](N1CCOCCOCCNC(=O)COCCOCCNc3cccc4C(=O)N([C@@H]5CCC(=O)NC5=O)C(=O)c34)c6ccccc6 |
| SMILES | CACTVS | 3.385 | CC1=Nc2ccc(Cl)cc2[CH](N1CCOCCOCCNC(=O)COCCOCCNc3cccc4C(=O)N([CH]5CCC(=O)NC5=O)C(=O)c34)c6ccccc6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=Nc2ccc(cc2[C@@H](N1CCOCCOCCNC(=O)COCCOCCNc3cccc4c3C(=O)N(C4=O)[C@@H]5CCC(=O)NC5=O)c6ccccc6)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=Nc2ccc(cc2C(N1CCOCCOCCNC(=O)COCCOCCNc3cccc4c3C(=O)N(C4=O)C5CCC(=O)NC5=O)c6ccccc6)Cl |
