![[11(2S)]-N-[4-[(tert-Butoxycarbonyl)amino]butyl]-N-(2-formylethyl)-11-[2-[N-(benzyloxy)carbonyl]piperidinyl]]-9-undecenamide](/api/spectrum/HyYqlmPKKgY/structure.png?h=300&w=458 "[11(2S)]-N-[4-[(tert-Butoxycarbonyl)amino]butyl]-N-(2-formylethyl)-11-[2-[N-(benzyloxy)carbonyl]piperidinyl]]-9-undecenamide")
| SpectraBase Compound ID | CRhWCoUyytu |
|---|---|
| InChI | InChI=1S/C36H57N3O6/c1-36(2,3)45-34(42)37-25-16-18-26-38(27-19-29-40)33(41)24-14-9-7-5-4-6-8-13-22-32-23-15-17-28-39(32)35(43)44-30-31-20-11-10-12-21-31/h8,10-13,20-21,29,32H,4-7,9,14-19,22-28,30H2,1-3H3,(H,37,42)/b13-8+/t32-/m1/s1 |
| InChIKey | KFKPVIYIFLNXEQ-MOILCHMESA-N |
| Mol Weight | 627.9 g/mol |
| Molecular Formula | C36H57N3O6 |
| Exact Mass | 627.424737 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HyYqlmPKKgY |
|---|---|
| Name | [11(2S)]-N-[4-[(tert-Butoxycarbonyl)amino]butyl]-N-(2-formylethyl)-11-[2-[N-(benzyloxy)carbonyl]piperidinyl]]-9-undecenamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H57N3O6 |
| InChI | InChI=1S/C36H57N3O6/c1-36(2,3)45-34(42)37-25-16-18-26-38(27-19-29-40)33(41)24-14-9-7-5-4-6-8-13-22-32-23-15-17-28-39(32)35(43)44-30-31-20-11-10-12-21-31/h8,10-13,20-21,29,32H,4-7,9,14-19,22-28,30H2,1-3H3,(H,37,42)/b13-8+/t32-/m1/s1 |
| InChIKey | KFKPVIYIFLNXEQ-MOILCHMESA-N |
| Molecular Weight | 627.867 g/mol |
| SMILES | N(C(OC(C)(C)C)=O)CCCCN(C(CCCCCCC\C=C\C[C@]1(N(C(OCc2ccccc2)=O)CCCC1)[H])=O)CCC=O |
| SPLASH | splash10-0002-0000690000-8d61a12059427bd63670 |
| Source of Spectrum | J-61-1029-34 |
| Synonyms | benzyl (2S)-2-{(2E)-11-[{4-[(tert-butoxycarbonyl)amino]butyl}(3-oxopropyl)amino]-11-oxo-2-undecenyl}-1-piperidinecarboxylate |
| Wiley ID | 1411948 |