Methyl 1-{(1S,2S,3S,4R,5R)-2-[(allylcarbamoyl)amino]-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl}-4-piperidinecarboxylate
12058
Reference
Methyl 1-{(1S,2S,3S,4R,5R)-2-[(allylcarbamoyl)amino]-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl}-4-piperidinecarboxylate Structure
Systematic / IUPAC Name: Methyl 1-[(1S,2S,3S,4R,5R)-3-hydroxy-2-(prop-2-enylcarbamoylamino)-6,8-dioxabicyclo[3.2.1]octan-4-yl]piperidine-4-carboxylate
ID: Reference12058
Other Names: NAT17-262528
Formula: C17H27N3O6
Spectral Data
Methyl 1-{(1S,2S,3S,4R,5R)-2-[(allylcarbamoyl)amino]-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl}-4-piperidinecarboxylate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1339 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/13/2022 11:30:39 AM |
Identificators
| InChI | InChI=1S/C17H27N3O6/c1-3-6-18-17(23)19-12-11-9-25-16(26-11)13(14(12)21)20-7-4-10(5-8-20)15(22)24-2/h3,10-14,16,21H,1,4-9H2,2H3,(H2,18,19,23)/t11-,12-,13-,14+,16-/m1/s1 |
| InChI Key | MHPRHYWILLZVFW-AQDIXCGQSA-N |
| Canonical SMILES | COC(=O)C1CCN(CC1)C2C(C(C3COC2O3)NC(=O)NCC=C)O |
| CAS | |
| Splash | |
| Other Names | NAT17-262528 |