![[(4-[(S)-2-ACETYLAMINO-2-[(S)-1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXYPHENYL)-ETHYLCARBAMOYL]-ETHYL]-PHENYL)-(DIETHOXYPHOSPHORYL)-METHYL]-PHOSPHONIC-ACID-DIETHYLESTE](/api/spectrum/2f251kyv9DT/structure.png?h=300&w=458 "[(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 |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2f251kyv9DT |
|---|---|
| Name | [(4-[(S)-2-ACETYLAMINO-2-[(S)-1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXYPHENYL)-ETHYLCARBAMOYL]-ETHYL]-PHENYL)-(DIETHOXYPHOSPHORYL)-METHYL]-PHOSPHONIC-ACID-DIETHYLESTE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H55N3O10P2 |
| 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 |
| Literature Reference Author | R.S.BOHACEK,D.C.DALGARNO,M.HATADA,V.A.JOCOBSEN,B.A.LYNCH,K.J .MACEK,T.MERRY,C.A.M |
| Literature Reference Citation | J.MED.CHEM.,44,660(2001) |
| Literature Reference DOI | 10.1021/jm0002681 |
| Solvent | CDCl3 |
| Source File Reference | UWSI43943 |