Methyl 1-{3-[(2S,5aS,8aR)-6-(4-fluorobenzyl)-1-methyl-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl]propanoyl}-4-piperidinecarboxylate
11927
Reference
Methyl 1-{3-[(2S,5aS,8aR)-6-(4-fluorobenzyl)-1-methyl-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl]propanoyl}-4-piperidinecarboxylate Structure
Systematic / IUPAC Name: Methyl 1-[3-[(2S,5aS,8aR)-6-[(4-fluorophenyl)methyl]-1-methyl-5-oxo-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-E][1,4]diazepin-2-yl]propanoyl]piperidine-4-carboxylate
ID: Reference11927
Other Names: NAT23-391253
Formula: C25H35FN4O4
Spectral Data
Methyl 1-{3-[(2S,5aS,8aR)-6-(4-fluorobenzyl)-1-methyl-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl]propanoyl}-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 | 2416 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/7/2022 12:39:17 PM |
Identificators
| InChI | InChI=1S/C25H35FN4O4/c1-28-20(7-8-22(31)29-12-9-18(10-13-29)25(33)34-2)15-27-24(32)23-21(28)11-14-30(23)16-17-3-5-19(26)6-4-17/h3-6,18,20-21,23H,7-16H2,1-2H3,(H,27,32)/t20-,21+,23-/m0/s1 |
| InChI Key | JZNXJDHTWLYMLS-XJUOHMSHSA-N |
| Canonical SMILES | CN1C2CCN(C2C(=O)NCC1CCC(=O)N3CCC(CC3)C(=O)OC)CC4=CC=C(C=C4)F |
| CAS | |
| Splash | |
| Other Names | NAT23-391253 |