![Methyl N(.alpha.)-[rac-(Z)-5'-(t-butyl)oxycarbonyl-3,4-dihydro-3',4,4,4'-tetramethyl-5(1H)-pyrromethenon-3-ylacetyl]-N(.epsilon.)-benzyloxycarbonyl-(S)-lysine](/api/spectrum/8xtDhe7FSGG/structure.png?h=300&w=458 "Methyl N(.alpha.)-[rac-(Z)-5'-(t-butyl)oxycarbonyl-3,4-dihydro-3',4,4,4'-tetramethyl-5(1H)-pyrromethenon-3-ylacetyl]-N(.epsilon.)-benzyloxycarbonyl-(S)-lysine")
| SpectraBase Compound ID | AAkFrmuODzQ |
|---|---|
| InChI | InChI=1S/C35H48N4O8/c1-21-22(2)29(31(42)47-34(3,4)5)38-26(21)19-27-24(35(6,7)32(43)39-27)18-28(40)37-25(30(41)45-8)16-12-13-17-36-33(44)46-20-23-14-10-9-11-15-23/h9-11,14-15,19,24-25,38H,12-13,16-18,20H2,1-8H3,(H,36,44)(H,37,40)(H,39,43)/b27-19- |
| InChIKey | UQLKCQARUFXGIS-DIBXZPPDSA-N |
| Mol Weight | 652.8 g/mol |
| Molecular Formula | C35H48N4O8 |
| Exact Mass | 652.347215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8xtDhe7FSGG |
|---|---|
| Name | Methyl N(.alpha.)-[rac-(Z)-5'-(T-butyl)oxycarbonyl-3,4-dihydro-3',4,4,4'-tetramethyl-5(1H)-pyrromethenon-3-ylacetyl]-N(.epsilon.)-benzyloxycarbonyl-(S)-lysine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 652.347214514 u |
| Formula | C35H48N4O8 |
| InChI | InChI=1S/C35H48N4O8/c1-21-22(2)29(31(42)47-34(3,4)5)38-26(21)19-27-24(35(6,7)32(43)39-27)18-28(40)37-25(30(41)45-8)16-12-13-17-36-33(44)46-20-23-14-10-9-11-15-23/h9-11,14-15,19,24-25,38H,12-13,16-18,20H2,1-8H3,(H,36,44)(H,37,40)(H,39,43)/b27-19- |
| InChIKey | UQLKCQARUFXGIS-DIBXZPPDSA-N |
| Molecular Weight | 652.789 g/mol |
| SMILES | C=1(NC(\C=C\2NC(=O)C(C2CC(NC(C(=O)OC)CCCCNC(=O)OCC=2C=CC=CC2)=O)(C)C)=C(C1C)C)C(OC(C)(C)C)=O |