![[ALPHA-METHYL-(2R)-ASPARTYL]-BETA-(2S)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-GLYCINE-DIESTER](/api/spectrum/KP6py7BP8rQ/structure.png?h=300&w=458 "[ALPHA-METHYL-(2R)-ASPARTYL]-BETA-(2S)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-GLYCINE-DIESTER")
| SpectraBase Compound ID | AlnAQt8Ezxl |
|---|---|
| InChI | InChI=1S/C25H35N5O10/c1-39-24(37)16(26)13-21(33)30-18(12-15-6-4-3-5-7-15)23(36)27-11-10-20(32)29-17(25(38)40-2)8-9-19(31)28-14-22(34)35/h3-7,16-18H,8-14,26H2,1-2H3,(H,27,36)(H,28,31)(H,29,32)(H,30,33)(H,34,35)/t16-,17-,18+/m1/s1 |
| InChIKey | UTZKFZKECFHLLF-KURKYZTESA-N |
| Mol Weight | 565.6 g/mol |
| Molecular Formula | C25H35N5O10 |
| Exact Mass | 565.238392 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KP6py7BP8rQ |
|---|---|
| Name | [ALPHA-METHYL-(2R)-ASPARTYL]-BETA-(2S)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-GLYCINE-DIESTER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H35N5O10 |
| InChI | InChI=1S/C25H35N5O10/c1-39-24(37)16(26)13-21(33)30-18(12-15-6-4-3-5-7-15)23(36)27-11-10-20(32)29-17(25(38)40-2)8-9-19(31)28-14-22(34)35/h3-7,16-18H,8-14,26H2,1-2H3,(H,27,36)(H,28,31)(H,29,32)(H,30,33)(H,34,35)/t16-,17-,18+/m1/s1 |
| InChIKey | UTZKFZKECFHLLF-KURKYZTESA-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 | 565.580 g/mol |
| Solvent | D2O |
| Source File Reference | UWCP9211 |