![TERT.-BUTYL-N-[(2S)-2-HYDROXY-1-OXO-3-[3-(3,4,6-TRI-O-BENZYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-UREIDO]-PROPYL]-PHENYLALANINATE](/api/spectrum/9CGFMpOwJZ2/structure.png?h=300&w=458 "TERT.-BUTYL-N-[(2S)-2-HYDROXY-1-OXO-3-[3-(3,4,6-TRI-O-BENZYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-UREIDO]-PROPYL]-PHENYLALANINATE")
| SpectraBase Compound ID | C8aC9Ij1h29 |
|---|---|
| InChI | InChI=1S/C46H56N4O10/c1-31(51)48-39-41(58-29-35-23-15-8-16-24-35)40(57-28-34-21-13-7-14-22-34)38(30-56-27-33-19-11-6-12-20-33)59-43(39)50-45(55)47-26-37(52)42(53)49-36(44(54)60-46(2,3)4)25-32-17-9-5-10-18-32/h5-24,36-41,43,52H,25-30H2,1-4H3,(H,48,51)(H,49,53)(H2,47,50,55)/t36-,37-,38-,39-,40-,41-,43-/m1/s1 |
| InChIKey | PKHJMTOIKHAIDA-NVDBWNJJSA-N |
| Mol Weight | 825.0 g/mol |
| Molecular Formula | C46H56N4O10 |
| Exact Mass | 824.399644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9CGFMpOwJZ2 |
|---|---|
| Name | TERT.-BUTYL-N-[(2S)-2-HYDROXY-1-OXO-3-[3-(3,4,6-TRI-O-BENZYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-UREIDO]-PROPYL]-PHENYLALANINATE |
| Compound Number | 8F |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H56N4O10 |
| InChI | InChI=1S/C46H56N4O10/c1-31(51)48-39-41(58-29-35-23-15-8-16-24-35)40(57-28-34-21-13-7-14-22-34)38(30-56-27-33-19-11-6-12-20-33)59-43(39)50-45(55)47-26-37(52)42(53)49-36(44(54)60-46(2,3)4)25-32-17-9-5-10-18-32/h5-24,36-41,43,52H,25-30H2,1-4H3,(H,48,51)(H,49,53)(H2,47,50,55)/t36-,37-,38-,39-,40-,41-,43-/m1/s1 |
| InChIKey | PKHJMTOIKHAIDA-NVDBWNJJSA-N |
| Literature Reference Author | C.BOETTCHER,J.SPENGLER,L.HENNIG,F.ALBERICIO,K.BURGER |
| Literature Reference Citation | MH.CHEM.,136,577(2005) |
| Literature Reference DOI | 10.1007/s00706-004-0248-9 |
| Molecular Weight | 824.971 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI23601 |