![#9;[(4-[(S)-2-TERT.-BUTOXYCARBONYLAMINO-2-[(S)-1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXYPHENYL)-ETHYLCARBAMOYL]-ETHYL]-PHENYL)-(DIETHOXYPHOSPHORYL)-METHYL]-PHOSPHONIC](/api/spectrum/72OtJPzqFdE/structure.png?h=300&w=458 "#9;[(4-[(S)-2-TERT.-BUTOXYCARBONYLAMINO-2-[(S)-1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXYPHENYL)-ETHYLCARBAMOYL]-ETHYL]-PHENYL)-(DIETHOXYPHOSPHORYL)-METHYL]-PHOSPHONIC")
| SpectraBase Compound ID | 4NGXrbb1k7J |
|---|---|
| InChI | InChI=1S/C39H61N3O11P2/c1-9-49-54(46,50-10-2)37(55(47,51-11-3)52-12-4)30-20-18-28(19-21-30)24-33(42-38(45)53-39(6,7)8)36(44)41-27(5)31-22-23-34(32(25-31)35(40)43)48-26-29-16-14-13-15-17-29/h18-23,25,27,29,33,37H,9-17,24,26H2,1-8H3,(H2,40,43)(H,41,44)(H,42,45)/t27-,33-/m0/s1 |
| InChIKey | VCPJKIYYQVOVAM-CMVGPNDKSA-N |
| Mol Weight | 809.9 g/mol |
| Molecular Formula | C39H61N3O11P2 |
| Exact Mass | 809.378134 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 72OtJPzqFdE |
|---|---|
| Name | #9;[(4-[(S)-2-TERT.-BUTOXYCARBONYLAMINO-2-[(S)-1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXYPHENYL)-ETHYLCARBAMOYL]-ETHYL]-PHENYL)-(DIETHOXYPHOSPHORYL)-METHYL]-PHOSPHONIC |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H61N3O11P2 |
| InChI | InChI=1S/C39H61N3O11P2/c1-9-49-54(46,50-10-2)37(55(47,51-11-3)52-12-4)30-20-18-28(19-21-30)24-33(42-38(45)53-39(6,7)8)36(44)41-27(5)31-22-23-34(32(25-31)35(40)43)48-26-29-16-14-13-15-17-29/h18-23,25,27,29,33,37H,9-17,24,26H2,1-8H3,(H2,40,43)(H,41,44)(H,42,45)/t27-,33-/m0/s1 |
| InChIKey | VCPJKIYYQVOVAM-CMVGPNDKSA-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 | UWSI43942 |