![TERT.-BUTYL_N-{2-OXO-2-[(3,4,6-TRI-O-ACETYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-AMINO]-ETHYL}-GLYCYLALANINATE](/api/spectrum/5g3itgOLpKP/structure.png?h=300&w=458 "TERT.-BUTYL_N-{2-OXO-2-[(3,4,6-TRI-O-ACETYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-AMINO]-ETHYL}-GLYCYLALANINATE")
| SpectraBase Compound ID | FOobnwMl3bO |
|---|---|
| InChI | InChI=1S/C25H40N4O12/c1-12(24(36)41-25(6,7)8)27-18(34)9-26-10-19(35)29-23-20(28-13(2)30)22(39-16(5)33)21(38-15(4)32)17(40-23)11-37-14(3)31/h12,17,20-23,26H,9-11H2,1-8H3,(H,27,34)(H,28,30)(H,29,35)/t12?,17-,20-,21-,22-,23-/m1/s1 |
| InChIKey | ZMPHDAYZQZULLS-QYLLNJJZSA-N |
| Mol Weight | 588.6 g/mol |
| Molecular Formula | C25H40N4O12 |
| Exact Mass | 588.264273 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5g3itgOLpKP |
|---|---|
| Name | TERT.-BUTYL_N-{2-OXO-2-[(3,4,6-TRI-O-ACETYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-AMINO]-ETHYL}-GLYCYLALANINATE |
| Compound Number | 7B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H40N4O12 |
| InChI | InChI=1S/C25H40N4O12/c1-12(24(36)41-25(6,7)8)27-18(34)9-26-10-19(35)29-23-20(28-13(2)30)22(39-16(5)33)21(38-15(4)32)17(40-23)11-37-14(3)31/h12,17,20-23,26H,9-11H2,1-8H3,(H,27,34)(H,28,30)(H,29,35)/t12?,17-,20-,21-,22-,23-/m1/s1 |
| InChIKey | ZMPHDAYZQZULLS-QYLLNJJZSA-N |
| Literature Reference Author | K.BURGER,C.BOETTCHER,L.HENNIG,S.A.ESSAWY |
| Literature Reference Citation | MH.CHEM.,135,865(2004) |
| Molecular Weight | 588.612 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ12029 |