| SpectraBase Compound ID | GhF5y6GtXP2 |
|---|---|
| InChI | InChI=1S/C36H43ClN8O5/c1-4-49-33-18-30-27(17-31(33)44-34(46)16-26(21-45(2)3)41-14-8-6-10-29(39)36(47)48)35(23(19-38)20-42-30)43-24-11-12-32(28(37)15-24)50-22-25-9-5-7-13-40-25/h5,7,9,11-13,15,17-18,20,26,29,41H,4,6,8,10,14,16,21-22,39H2,1-3H3,(H,42,43)(H,44,46)(H,47,48)/t26-,29+/m1/s1 |
| InChIKey | MIGZZIMXRGLFEK-UHSQPCAPSA-N |
| Mol Weight | 703.2 g/mol |
| Molecular Formula | C36H43ClN8O5 |
| Exact Mass | 702.304494 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 74qDSxEfOVk |
|---|---|
| Name | HKI-272-LYSINE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H43ClN8O5 |
| InChI | InChI=1S/C36H43ClN8O5/c1-4-49-33-18-30-27(17-31(33)44-34(46)16-26(21-45(2)3)41-14-8-6-10-29(39)36(47)48)35(23(19-38)20-42-30)43-24-11-12-32(28(37)15-24)50-22-25-9-5-7-13-40-25/h5,7,9,11-13,15,17-18,20,26,29,41H,4,6,8,10,14,16,21-22,39H2,1-3H3,(H,42,43)(H,44,46)(H,47,48)/t26-,29+/m1/s1 |
| InChIKey | MIGZZIMXRGLFEK-UHSQPCAPSA-N |
| Literature Reference Author | J.WANG,X.X.LI-CHAN,J.ATHERTON,L.DENG,R.ESPINA,L.YU,P.HORWATT ,S.ROSS,S.LOCKHEAD,S |
| Literature Reference Citation | DRUG.MET.DISP.,38,1083(2010) |
| Literature Reference DOI | 10.1124/dmd.110.032292 |
| Molecular Weight | 703.241 g/mol |
| Source File Reference | UWLU74050 |