![N(ALPHA)-[2-[[N-TERT.-BUTOXYCARBONYL-N-[(S)-2-[N-(TERT.-BUTYLOXYCARBONYL)-AMINO]-2(CARBAMOYL)-ETHYL]-AMINO]-METHYL]-6-AMINOPYRIMIDINE-4-CARBONYL]-](/api/spectrum/FN1tCOsW3VJ/structure.png?h=300&w=458 "N(ALPHA)-[2-[[N-TERT.-BUTOXYCARBONYL-N-[(S)-2-[N-(TERT.-BUTYLOXYCARBONYL)-AMINO]-2(CARBAMOYL)-ETHYL]-AMINO]-METHYL]-6-AMINOPYRIMIDINE-4-CARBONYL]-")
| SpectraBase Compound ID | KkWj9nrGudg |
|---|---|
| InChI | InChI=1S/C37H58N10O11/c1-20(30(51)55-34(2,3)4)41-28(49)22(14-21-16-47(19-40-21)33(54)58-37(11,12)13)43-29(50)23-15-25(38)45-26(42-23)18-46(32(53)57-36(8,9)10)17-24(27(39)48)44-31(52)56-35(5,6)7/h15-16,19-20,22,24H,14,17-18H2,1-13H3,(H2,39,48)(H,41,49)(H,43,50)(H,44,52)(H2,38,42,45) |
| InChIKey | JEVJJFINJIRVIC-UHFFFAOYSA-N |
| Mol Weight | 818.9 g/mol |
| Molecular Formula | C37H58N10O11 |
| Exact Mass | 818.428653 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FN1tCOsW3VJ |
|---|---|
| Name | N(ALPHA)-[2-[[N-TERT.-BUTOXYCARBONYL-N-[(S)-2-[N-(TERT.-BUTYLOXYCARBONYL)-AMINO]-2(CARBAMOYL)-ETHYL]-AMINO]-METHYL]-6-AMINOPYRIMIDINE-4-CARBONYL]- |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H58N10O11 |
| InChI | InChI=1S/C37H58N10O11/c1-20(30(51)55-34(2,3)4)41-28(49)22(14-21-16-47(19-40-21)33(54)58-37(11,12)13)43-29(50)23-15-25(38)45-26(42-23)18-46(32(53)57-36(8,9)10)17-24(27(39)48)44-31(52)56-35(5,6)7/h15-16,19-20,22,24H,14,17-18H2,1-13H3,(H2,39,48)(H,41,49)(H,43,50)(H,44,52)(H2,38,42,45) |
| InChIKey | JEVJJFINJIRVIC-UHFFFAOYSA-N |
| Literature Reference Author | D.L.BOGER,T.HONDA,R.F.MENEZES,S.L.COLLETTI,Q.DANG,W.YANG |
| Literature Reference Citation | J.AM.CHEM.SOC.,116,82(1994) |
| Literature Reference DOI | 10.1021/ja00080a010 |
| Molecular Weight | 818.928 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU6909 |