![BENZYL-[(2R)-N-BENZYLOXYCARBONYL-ALPHA-METHYLASPARTYL]-BETA-(2S)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-GLYCINATE-TRIESTER](/api/spectrum/opkdPUUlCj/structure.png?h=300&w=458 "BENZYL-[(2R)-N-BENZYLOXYCARBONYL-ALPHA-METHYLASPARTYL]-BETA-(2S)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-GLYCINATE-TRIESTER")
| SpectraBase Compound ID | 3V5UYWLXxzY |
|---|---|
| InChI | InChI=1S/C40H47N5O12/c1-54-38(51)30(18-19-33(46)42-24-36(49)56-25-28-14-8-4-9-15-28)43-34(47)20-21-41-37(50)31(22-27-12-6-3-7-13-27)44-35(48)23-32(39(52)55-2)45-40(53)57-26-29-16-10-5-11-17-29/h3-17,30-32H,18-26H2,1-2H3,(H,41,50)(H,42,46)(H,43,47)(H,44,48)(H,45,53)/t30-,31-,32+/m0/s1 |
| InChIKey | GPMLYQNCDZRYRF-OWHBQTKESA-N |
| Mol Weight | 789.8 g/mol |
| Molecular Formula | C40H47N5O12 |
| Exact Mass | 789.322122 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | opkdPUUlCj |
|---|---|
| Name | BENZYL-[(2R)-N-BENZYLOXYCARBONYL-ALPHA-METHYLASPARTYL]-BETA-(2S)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-GLYCINATE-TRIESTER |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H47N5O12 |
| InChI | InChI=1S/C40H47N5O12/c1-54-38(51)30(18-19-33(46)42-24-36(49)56-25-28-14-8-4-9-15-28)43-34(47)20-21-41-37(50)31(22-27-12-6-3-7-13-27)44-35(48)23-32(39(52)55-2)45-40(53)57-26-29-16-10-5-11-17-29/h3-17,30-32H,18-26H2,1-2H3,(H,41,50)(H,42,46)(H,43,47)(H,44,48)(H,45,53)/t30-,31-,32+/m0/s1 |
| InChIKey | GPMLYQNCDZRYRF-OWHBQTKESA-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 | 789.839 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP9210 |