![CYCLO-[BETA-ALA-(R)-GLU-ALPHA-OME-GAMMA-SAR-(R)-ASP-ALPHA-OME-BETA-(S)-PHE];ROTAMER-#1](/api/spectrum/KpD8iqKGy6j/structure.png?h=300&w=458 "CYCLO-[BETA-ALA-(R)-GLU-ALPHA-OME-GAMMA-SAR-(R)-ASP-ALPHA-OME-BETA-(S)-PHE];ROTAMER-#1")
| SpectraBase Compound ID | AN5AtYe7UUu |
|---|---|
| InChI | InChI=1S/C26H35N5O9/c1-31-15-22(34)30-19(26(38)40-3)14-21(33)29-18(13-16-7-5-4-6-8-16)24(36)27-12-11-20(32)28-17(25(37)39-2)9-10-23(31)35/h4-8,17-19H,9-15H2,1-3H3,(H,27,36)(H,28,32)(H,29,33)(H,30,34)/t17-,18+,19-/m1/s1 |
| InChIKey | CUSNVYQLWQZXOZ-CEXWTWQISA-N |
| Mol Weight | 561.6 g/mol |
| Molecular Formula | C26H35N5O9 |
| Exact Mass | 561.243478 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KpD8iqKGy6j |
|---|---|
| Name | CYCLO-[BETA-ALA-(R)-GLU-ALPHA-OME-GAMMA-SAR-(R)-ASP-ALPHA-OME-BETA-(S)-PHE];ROTAMER-#1 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H35N5O9 |
| InChI | InChI=1S/C26H35N5O9/c1-31-15-22(34)30-19(26(38)40-3)14-21(33)29-18(13-16-7-5-4-6-8-16)24(36)27-12-11-20(32)28-17(25(37)39-2)9-10-23(31)35/h4-8,17-19H,9-15H2,1-3H3,(H,27,36)(H,28,32)(H,29,33)(H,30,34)/t17-,18+,19-/m1/s1 |
| InChIKey | CUSNVYQLWQZXOZ-CEXWTWQISA-N |
| Literature Reference Author | A.P.MEHROTRA,K.L.WEBSTER,D.GANI |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,2495(1997) |
| Literature Reference DOI | 10.1039/a702407j |
| Molecular Weight | 561.592 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCP9239 |