![(4-[2-TERT.-BUTOXYCARBONYLAMINO-2-[1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXYPHENYL)-ETHYLCARBAMOYL]-ETHYL]-BENZYL)-PHOSPHONIC-ACID-DIETHYLESTER](/api/spectrum/ER4TGiq4dLR/structure.png?h=300&w=458 "(4-[2-TERT.-BUTOXYCARBONYLAMINO-2-[1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXYPHENYL)-ETHYLCARBAMOYL]-ETHYL]-BENZYL)-PHOSPHONIC-ACID-DIETHYLESTER")
| SpectraBase Compound ID | 1k5goGXZFOG |
|---|---|
| InChI | InChI=1S/C35H52N3O8P/c1-7-44-47(42,45-8-2)23-27-16-14-25(15-17-27)20-30(38-34(41)46-35(4,5)6)33(40)37-24(3)28-18-19-31(29(21-28)32(36)39)43-22-26-12-10-9-11-13-26/h14-19,21,24,26,30H,7-13,20,22-23H2,1-6H3,(H2,36,39)(H,37,40)(H,38,41)/t24-,30-/m0/s1 |
| InChIKey | ZIIYAHRJMOEWCY-NGQVCNFZSA-N |
| Mol Weight | 673.8 g/mol |
| Molecular Formula | C35H52N3O8P |
| Exact Mass | 673.349203 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ER4TGiq4dLR |
|---|---|
| Name | (4-[2-TERT.-BUTOXYCARBONYLAMINO-2-[1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXYPHENYL)-ETHYLCARBAMOYL]-ETHYL]-BENZYL)-PHOSPHONIC-ACID-DIETHYLESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H52N3O8P |
| InChI | InChI=1S/C35H52N3O8P/c1-7-44-47(42,45-8-2)23-27-16-14-25(15-17-27)20-30(38-34(41)46-35(4,5)6)33(40)37-24(3)28-18-19-31(29(21-28)32(36)39)43-22-26-12-10-9-11-13-26/h14-19,21,24,26,30H,7-13,20,22-23H2,1-6H3,(H2,36,39)(H,37,40)(H,38,41)/t24-,30-/m0/s1 |
| InChIKey | ZIIYAHRJMOEWCY-NGQVCNFZSA-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 | UWSI43945 |