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[(4-[(S)-2-ACETYLAMINO-2-[(S)-1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXYPHENYL)-ETHYLCARBAMOYL]-ETHYL]-PHENYL)-(DIETHOXYPHOSPHORYL)-METHYL]-PHOSPHONIC-ACID-DIETHYLESTE
SpectraBase Compound ID DMy8AcE5sQa
InChI InChI=1S/C36H55N3O10P2/c1-7-46-50(43,47-8-2)36(51(44,48-9-3)49-10-4)29-18-16-27(17-19-29)22-32(39-26(6)40)35(42)38-25(5)30-20-21-33(31(23-30)34(37)41)45-24-28-14-12-11-13-15-28/h16-21,23,25,28,32,36H,7-15,22,24H2,1-6H3,(H2,37,41)(H,38,42)(H,39,40)/t25-,32-/m0/s1
InChIKey HWHADWDGUIGLTE-UKJJDJLKSA-N
Mol Weight 751.8 g/mol
Molecular Formula C36H55N3O10P2
Exact Mass 751.336269 g/mol
Enantiomer InChIKey HWHADWDGUIGLTE-NLGDKJDOSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
X-ray Structure of Citrate Bound to Src SH2 Leads to a High-Affinity, Bone-Targeted Src SH2 Inhibitor Journal of Medicinal Chemistry 2001
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