![TERT.-BUTYL-N-[(2S)-2-HYDROXY-1-OXO-3-[3-(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-UREIDO]-PROPYL]-PHENYLALANINATE](/api/spectrum/B4QY2txdIrj/structure.png?h=300&w=458 "TERT.-BUTYL-N-[(2S)-2-HYDROXY-1-OXO-3-[3-(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-UREIDO]-PROPYL]-PHENYLALANINATE")
| SpectraBase Compound ID | AgT367mRK1L |
|---|---|
| InChI | InChI=1S/C51H59N3O10/c1-51(2,3)64-49(57)41(29-36-19-9-4-10-20-36)53-47(56)42(55)30-52-50(58)54-48-46(62-34-40-27-17-8-18-28-40)45(61-33-39-25-15-7-16-26-39)44(60-32-38-23-13-6-14-24-38)43(63-48)35-59-31-37-21-11-5-12-22-37/h4-28,41-46,48,55H,29-35H2,1-3H3,(H,53,56)(H2,52,54,58)/t41-,42-,43-,44-,45+,46-,48-/m1/s1 |
| InChIKey | VWKPXXKINKARBU-WHIQIQHMSA-N |
| Mol Weight | 874.0 g/mol |
| Molecular Formula | C51H59N3O10 |
| Exact Mass | 873.420045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B4QY2txdIrj |
|---|---|
| Name | TERT.-BUTYL-N-[(2S)-2-HYDROXY-1-OXO-3-[3-(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-UREIDO]-PROPYL]-PHENYLALANINATE |
| Compound Number | 8D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H59N3O10 |
| InChI | InChI=1S/C51H59N3O10/c1-51(2,3)64-49(57)41(29-36-19-9-4-10-20-36)53-47(56)42(55)30-52-50(58)54-48-46(62-34-40-27-17-8-18-28-40)45(61-33-39-25-15-7-16-26-39)44(60-32-38-23-13-6-14-24-38)43(63-48)35-59-31-37-21-11-5-12-22-37/h4-28,41-46,48,55H,29-35H2,1-3H3,(H,53,56)(H2,52,54,58)/t41-,42-,43-,44-,45+,46-,48-/m1/s1 |
| InChIKey | VWKPXXKINKARBU-WHIQIQHMSA-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 | 874.044 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI23599 |