| SpectraBase Compound ID | 32TKOnnrOYx |
|---|---|
| InChI | InChI=1S/C47H50N4O10/c1-47(29-36-25-26-39(52)40(53)28-36,44(56)59-30-33-16-6-2-7-17-33)50-42(54)38(24-14-15-27-48)51(46(58)61-32-35-20-10-4-11-21-35)43(55)41(37-22-12-5-13-23-37)49-45(57)60-31-34-18-8-3-9-19-34/h2-13,16-23,25-26,28,38,41,52-53H,14-15,24,27,29-32,48H2,1H3,(H,49,57)(H,50,54)/t38-,41+,47-/m0/s1 |
| InChIKey | KZIWVNRTJUHEBP-HDEHTMJTSA-N |
| Mol Weight | 830.9 g/mol |
| Molecular Formula | C47H50N4O10 |
| Exact Mass | 830.352694 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4NrLSFuju5Q |
|---|---|
| Name | Cbz-C(Ph)Gly-N.epison.(Cbz)Lys-.alpha.-MD-Obn |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C47H50N4O10 |
| InChI | InChI=1S/C47H50N4O10/c1-47(29-36-25-26-39(52)40(53)28-36,44(56)59-30-33-16-6-2-7-17-33)50-42(54)38(24-14-15-27-48)51(46(58)61-32-35-20-10-4-11-21-35)43(55)41(37-22-12-5-13-23-37)49-45(57)60-31-34-18-8-3-9-19-34/h2-13,16-23,25-26,28,38,41,52-53H,14-15,24,27,29-32,48H2,1H3,(H,49,57)(H,50,54)/t38-,41+,47-/m0/s1 |
| InChIKey | KZIWVNRTJUHEBP-HDEHTMJTSA-N |
| Molecular Weight | 830.935 g/mol |
| SMILES | N(C(=O)OCc1ccccc1)[C@@](C(N([C@@](CCCCN)(C(N[C@@](Cc1ccc(c(c1)O)O)(C(OCc1ccccc1)=O)C)=O)[H])C(OCc1ccccc1)=O)=O)(c1ccccc1)[H] |
| SPLASH | splash10-0a6r-9801000000-24923fe7d58cd14ee0a2 |
| Source of Spectrum | QA-42-565-6 |
| Wiley ID | 862012 |