| SpectraBase Compound ID | E6d7gOAGrth |
|---|---|
| InChI | InChI=1S/C25H28N4O5/c1-29(25(32)34-16-19-11-7-4-8-12-19)22(13-18-9-5-3-6-10-18)23(30)28-21(24(31)33-2)14-20-15-26-17-27-20/h3-12,15,17,21-22H,13-14,16H2,1-2H3,(H,26,27)(H,28,30)/t21-,22+/m0/s1 |
| InChIKey | XRIONSLCOQUCBF-FCHUYYIVSA-N |
| Mol Weight | 464.52 g/mol |
| Molecular Formula | C25H28N4O5 |
| Exact Mass | 464.20597 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5EdRuOoYc2m |
|---|---|
| Name | (S-(R*,R*))-N-ALPHA-(N-METHYL-N-((PHENYLMETHOXY)-CARBONYL)-PHENYLALANYL)-HISTIDINE-METHYLESTER |
| Compound Number | 1 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H28N4O5 |
| InChI | InChI=1S/C25H28N4O5/c1-29(25(32)34-16-19-11-7-4-8-12-19)22(13-18-9-5-3-6-10-18)23(30)28-21(24(31)33-2)14-20-15-26-17-27-20/h3-12,15,17,21-22H,13-14,16H2,1-2H3,(H,26,27)(H,28,30)/t21-,22+/m0/s1 |
| InChIKey | XRIONSLCOQUCBF-FCHUYYIVSA-N |
| Literature Reference Author | CR.NOE,A.WEIGAND,S.PIRKER,P.LIEPERT |
| Literature Reference Citation | MH.CHEM.,128,301(1997) |
| Literature Reference DOI | 10.1007/BF00807896 |
| Molecular Weight | 464.521 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRJ27 |