![N(ALPHA),N(BETA)-BIS-((TERT.-BUTYLOXY)-CARBONYL)-N(BETA)-[(6-AMINO-4-(ETHOXYCARBONYL)-5-METHYLPYRIMIDIN-2-YL)-METHYL]-(S)-BETA-AMINOALANINE-AMIDE](/api/spectrum/4DqHpElHfnK/structure.png?h=300&w=458 "N(ALPHA),N(BETA)-BIS-((TERT.-BUTYLOXY)-CARBONYL)-N(BETA)-[(6-AMINO-4-(ETHOXYCARBONYL)-5-METHYLPYRIMIDIN-2-YL)-METHYL]-(S)-BETA-AMINOALANINE-AMIDE")
| SpectraBase Compound ID | BaAiQBxwKf0 |
|---|---|
| InChI | InChI=1S/C22H36N6O7/c1-9-33-18(30)15-12(2)16(23)27-14(26-15)11-28(20(32)35-22(6,7)8)10-13(17(24)29)25-19(31)34-21(3,4)5/h13H,9-11H2,1-8H3,(H2,24,29)(H,25,31)(H2,23,26,27) |
| InChIKey | BQKZTIWKUSGNCT-UHFFFAOYSA-N |
| Mol Weight | 496.6 g/mol |
| Molecular Formula | C22H36N6O7 |
| Exact Mass | 496.264548 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4DqHpElHfnK |
|---|---|
| Name | N(ALPHA),N(BETA)-BIS-((TERT.-BUTYLOXY)-CARBONYL)-N(BETA)-[(6-AMINO-4-(ETHOXYCARBONYL)-5-METHYLPYRIMIDIN-2-YL)-METHYL]-(S)-BETA-AMINOALANINE-AMIDE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H36N6O7 |
| InChI | InChI=1S/C22H36N6O7/c1-9-33-18(30)15-12(2)16(23)27-14(26-15)11-28(20(32)35-22(6,7)8)10-13(17(24)29)25-19(31)34-21(3,4)5/h13H,9-11H2,1-8H3,(H2,24,29)(H,25,31)(H2,23,26,27) |
| InChIKey | BQKZTIWKUSGNCT-UHFFFAOYSA-N |
| Literature Reference Author | D.L.BOGER,T.HONDA,Q.DANG |
| Literature Reference Citation | J.AM.CHEM.SOC.,116,5619(1994) |
| Literature Reference DOI | 10.1021/ja00092a012 |
| Molecular Weight | 496.564 g/mol |
| Solvent | DMSO-D6 |