| SpectraBase Compound ID | DvkJVPv1tfe |
|---|---|
| InChI | InChI=1S/C42H66N6O10/c1-24(2)18-30(37(51)44-32(20-26(5)6)39(53)46-34(22-28(9)10)41(55)58-48-35(49)16-17-36(48)50)43-38(52)31(19-25(3)4)45-40(54)33(21-27(7)8)47-42(56)57-23-29-14-12-11-13-15-29/h11-15,24-28,30-34H,16-23H2,1-10H3,(H,43,52)(H,44,51)(H,45,54)(H,46,53)(H,47,56) |
| InChIKey | SLENUOTXDQVRFU-UHFFFAOYSA-N |
| Mol Weight | 815.0 g/mol |
| Molecular Formula | C42H66N6O10 |
| Exact Mass | 814.484042 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 58tPydIFzlB |
|---|---|
| Name | N-Hydroxysuccinimide ester of N-carbobenzoxyleucyl-leucyl-leucyl-leucyl-leucine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 814.484042339 u |
| Formula | C42H66N6O10 |
| InChI | InChI=1S/C42H66N6O10/c1-24(2)18-30(37(51)44-32(20-26(5)6)39(53)46-34(22-28(9)10)41(55)58-48-35(49)16-17-36(48)50)43-38(52)31(19-25(3)4)45-40(54)33(21-27(7)8)47-42(56)57-23-29-14-12-11-13-15-29/h11-15,24-28,30-34H,16-23H2,1-10H3,(H,43,52)(H,44,51)(H,45,54)(H,46,53)(H,47,56) |
| InChIKey | SLENUOTXDQVRFU-UHFFFAOYSA-N |
| Molecular Weight | 815.022 g/mol |
| SMILES | C(ON1C(CCC1=O)=O)(C(NC(C(NC(C(NC(C(NC(C(NC(=O)OCC=1C=CC=CC1)CC(C)C)=O)CC(C)C)=O)CC(C)C)=O)CC(C)C)=O)CC(C)C)=O |