![Methyl (2S)-2-[(2S)-2-t-Butoxycarbonylaminohexadecanoylamino]-3-phenylpropionate](/api/spectrum/3x5VSaGE5V/structure.png?h=300&w=458 "Methyl (2S)-2-[(2S)-2-t-Butoxycarbonylaminohexadecanoylamino]-3-phenylpropionate")
| SpectraBase Compound ID | 16T7dTQFwwO |
|---|---|
| InChI | InChI=1S/C31H52N2O5/c1-6-7-8-9-10-11-12-13-14-15-16-20-23-26(33-30(36)38-31(2,3)4)28(34)32-27(29(35)37-5)24-25-21-18-17-19-22-25/h17-19,21-22,26-27H,6-16,20,23-24H2,1-5H3,(H,32,34)(H,33,36)/t26-,27-/m0/s1 |
| InChIKey | JQYMMHWQHSKGLW-SVBPBHIXSA-N |
| Mol Weight | 532.8 g/mol |
| Molecular Formula | C31H52N2O5 |
| Exact Mass | 532.387623 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3x5VSaGE5V |
|---|---|
| Name | Methyl (2S)-2-[(2S)-2-t-Butoxycarbonylaminohexadecanoylamino]-3-phenylpropionate |
| Alternate Name(s) | Methyl (2S)-2-({(2S)-2-[(tert-butoxycarbonyl)amino]hexadecanoyl}amino)-3-phenylpropanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52N2O5 |
| InChI | InChI=1S/C31H52N2O5/c1-6-7-8-9-10-11-12-13-14-15-16-20-23-26(33-30(36)38-31(2,3)4)28(34)32-27(29(35)37-5)24-25-21-18-17-19-22-25/h17-19,21-22,26-27H,6-16,20,23-24H2,1-5H3,(H,32,34)(H,33,36)/t26-,27-/m0/s1 |
| InChIKey | JQYMMHWQHSKGLW-SVBPBHIXSA-N |
| Molecular Weight | 532.766 g/mol |
| SMILES | N(C(OC(C)(C)C)=O)[C@](C(N[C@](C(=O)OC)(Cc1ccccc1)[H])=O)(CCCCCCCCCCCCCC)[H] |
| SPLASH | splash10-0a6r-9260000000-e8215876166c9dc370d7 |
| Source of Spectrum | QC-7-864-15 |
| Wiley ID | 869176 |