![METHYL-2-[CYCLO-[N-[GLYCYL-(S)-PROLYL-(S)-VALYL]-2-AMINO-(S/R)-3,3-DIMETHYL-BUTYLIDENE]-AMINO]-(S)-3,3-DIMETHYL-BUTYRATE](/api/spectrum/LOFGXdD8G75/structure.png?h=300&w=458 "METHYL-2-[CYCLO-[N-[GLYCYL-(S)-PROLYL-(S)-VALYL]-2-AMINO-(S/R)-3,3-DIMETHYL-BUTYLIDENE]-AMINO]-(S)-3,3-DIMETHYL-BUTYRATE")
| SpectraBase Compound ID | FAWgTNMi0XE |
|---|---|
| InChI | InChI=1S/2C25H43N5O5/c2*1-14(2)17-22(33)29-18(24(3,4)5)20(28-19(23(34)35-9)25(6,7)8)26-13-16(31)30-12-10-11-15(30)21(32)27-17/h2*14-15,17-19H,10-13H2,1-9H3,(H,26,28)(H,27,32)(H,29,33)/t15-,17-,18+,19+;15-,17-,18-,19+/m00/s1 |
| InChIKey | SMPQWXJURMKLBG-ZBFSUYAKSA-N |
| Mol Weight | 987.3 g/mol |
| Molecular Formula | C50H86N10O10 |
| Exact Mass | 986.652839 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LOFGXdD8G75 |
|---|---|
| Name | METHYL-2-[CYCLO-[N-[GLYCYL-(S)-PROLYL-(S)-VALYL]-2-AMINO-(S/R)-3,3-DIMETHYL-BUTYLIDENE]-AMINO]-(S)-3,3-DIMETHYL-BUTYRATE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H86N10O10 |
| InChI | InChI=1S/2C25H43N5O5/c2*1-14(2)17-22(33)29-18(24(3,4)5)20(28-19(23(34)35-9)25(6,7)8)26-13-16(31)30-12-10-11-15(30)21(32)27-17/h2*14-15,17-19H,10-13H2,1-9H3,(H,26,28)(H,27,32)(H,29,33)/t15-,17-,18+,19+;15-,17-,18-,19+/m00/s1 |
| InChIKey | SMPQWXJURMKLBG-ZBFSUYAKSA-N |
| Literature Reference Author | S.ACKERMANN,H.G.LERCHEN,D.HAEBICH,A.ULLRICH,U.KAZMAIER |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,1652(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.189 |
| Molecular Weight | 987.294 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR11251 |