![(4-[2-ACETYLAMINO-2-[1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL]-ETHYL]-BENZYL)-PHOSPHONIC-ACID-DIETHYLESTER](/api/spectrum/2F6XXE0Z0Aj/structure.png?h=300&w=458 "(4-[2-ACETYLAMINO-2-[1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL]-ETHYL]-BENZYL)-PHOSPHONIC-ACID-DIETHYLESTER")
| SpectraBase Compound ID | JxbEfZzpFlH |
|---|---|
| InChI | InChI=1S/C32H46N3O7P/c1-5-41-43(39,42-6-2)21-26-14-12-24(13-15-26)18-29(35-23(4)36)32(38)34-22(3)27-16-17-30(28(19-27)31(33)37)40-20-25-10-8-7-9-11-25/h12-17,19,22,25,29H,5-11,18,20-21H2,1-4H3,(H2,33,37)(H,34,38)(H,35,36)/t22-,29-/m0/s1 |
| InChIKey | ZWSSVLQCOSZODG-ZTOMLWHTSA-N |
| Mol Weight | 615.7 g/mol |
| Molecular Formula | C32H46N3O7P |
| Exact Mass | 615.307338 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2F6XXE0Z0Aj |
|---|---|
| Name | (4-[2-ACETYLAMINO-2-[1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL]-ETHYL]-BENZYL)-PHOSPHONIC-ACID-DIETHYLESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H46N3O7P |
| InChI | InChI=1S/C32H46N3O7P/c1-5-41-43(39,42-6-2)21-26-14-12-24(13-15-26)18-29(35-23(4)36)32(38)34-22(3)27-16-17-30(28(19-27)31(33)37)40-20-25-10-8-7-9-11-25/h12-17,19,22,25,29H,5-11,18,20-21H2,1-4H3,(H2,33,37)(H,34,38)(H,35,36)/t22-,29-/m0/s1 |
| InChIKey | ZWSSVLQCOSZODG-ZTOMLWHTSA-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 | UWSI43946 |