A1IYC
Summary
| Name: | N-(3-((S)-6-chloro-2-methyl-4-phenylquinazolin-3(4H)-yl)propyl)-2-(2-(2-((2-((3~{R})-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)ethoxy)acetamide |
| Formula: | C37 H39 Cl N6 O7 |
| Formal charge: | 0 |
| Formula weight: | 715.195 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}-[3-[(4~{S})-6-chloranyl-2-methyl-4-phenyl-4~{H}-quinazolin-3-yl]propyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C37H39ClN6O7/c1-23-41-28-12-11-25(38)21-27(28)34(24-7-3-2-4-8-24)43(23)17-6-15-40-32(46)22-51-20-19-50-18-16-39-29-10-5-9-26-33(29)37(49)44(36(26)48)30-13-14-31(45)42-35(30)47/h2-5,7-12,21,30,34,39H,6,13-20,22H2,1H3,(H,40,46)(H,42,45,47)/t30-,34+/m1/s1 |
| InChIKey | InChI | 1.06 | FKQWGGBCIGOWEE-HKFHRXRESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=Nc2ccc(Cl)cc2[C@@H](N1CCCNC(=O)COCCOCCNc3cccc4C(=O)N([C@@H]5CCC(=O)NC5=O)C(=O)c34)c6ccccc6 |
| SMILES | CACTVS | 3.385 | CC1=Nc2ccc(Cl)cc2[CH](N1CCCNC(=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](N1CCCNC(=O)COCCOCCNc3cccc4c3C(=O)N(C4=O)[C@@H]5CCC(=O)NC5=O)c6ccccc6)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=Nc2ccc(cc2C(N1CCCNC(=O)COCCOCCNc3cccc4c3C(=O)N(C4=O)C5CCC(=O)NC5=O)c6ccccc6)Cl |
