| SpectraBase Compound ID | BymuZADlB9n |
|---|---|
| InChI | InChI=1S/C24H31N2O8P/c1-4-33-35(30,34-5-2)23(24(29)31-3)26-22(28)20(17-32-16-18-12-8-6-9-13-18)25-21(27)19-14-10-7-11-15-19/h6-15,20,23H,4-5,16-17H2,1-3H3,(H,25,27)(H,26,28)/t20-,23?/m0/s1 |
| InChIKey | VFVPAXNYHSMBGQ-AJZOCDQUSA-N |
| Mol Weight | 506.49 g/mol |
| Molecular Formula | C24H31N2O8P |
| Exact Mass | 506.181803 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ITOh72NNbWG |
|---|---|
| Name | N-(N-Benzoyl-O-benzyl-L-seryl)-2-(diethoxyphosphoryl)glycine Methyl Ester |
| Appearance | Syrup |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 506.181802956 u |
| Formula | C24H31N2O8P |
| InChI | InChI=1S/C24H31N2O8P/c1-4-33-35(30,34-5-2)23(24(29)31-3)26-22(28)20(17-32-16-18-12-8-6-9-13-18)25-21(27)19-14-10-7-11-15-19/h6-15,20,23H,4-5,16-17H2,1-3H3,(H,25,27)(H,26,28)/t20-,23?/m0/s1 |
| InChIKey | VFVPAXNYHSMBGQ-AJZOCDQUSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/chem.201703758 |
| Molecular Weight | 506.492 g/mol |
| Quality | 18 |
| Reported Formula | C24H31N2O8P |
| SMILES | N(C([C@](COCC1=CC=CC=C1)(NC(=O)C1=CC=CC=C1)[H])=O)C(C(OC)=O)P(=O)(OCC)OCC |
| SPLASH | splash10-0a4i-1900000000-75be5c2cce54a7a155ff |
| Sample Comments | Mixture of isomer = 1:1 |
| Source of Spectrum | QE-24-SM6-13 (DOI: 10.1002/chem.201703758) |
| Wiley ID | 1901480 |