(2S,5aS,8aR)-2-[3-(2,3-Dihydro-1H-indol-1-yl)-3-oxopropyl]-6-(2,2-dimethylpropyl)-1-methyloctahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-one
13008
Reference
(2S,5aS,8aR)-2-[3-(2,3-Dihydro-1H-indol-1-yl)-3-oxopropyl]-6-(2,2-dimethylpropyl)-1-methyloctahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-one Structure
Systematic / IUPAC Name: (2S,5aS,8aR)-2-[3-(2,3-Dihydroindol-1-yl)-3-oxopropyl]-6-(2,2-dimethylpropyl)-1-methyl-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-E][1,4]diazepin-5-one
ID: Reference13008
Other Names: NAT23-390873
Formula: C24H36N4O2
Spectral Data
(2S,5aS,8aR)-2-[3-(2,3-Dihydro-1H-indol-1-yl)-3-oxopropyl]-6-(2,2-dimethylpropyl)-1-methyloctahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-one 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 | 1809 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/13/2024 9:04:21 AM |
Identificators
| InChI | InChI=1S/C24H36N4O2/c1-24(2,3)16-27-13-12-20-22(27)23(30)25-15-18(26(20)4)9-10-21(29)28-14-11-17-7-5-6-8-19(17)28/h5-8,18,20,22H,9-16H2,1-4H3,(H,25,30)/t18-,20+,22-/m0/s1 |
| InChI Key | NVLDSPMLNOJMPS-DWLFOUALSA-N |
| Canonical SMILES | CC(C)(C)CN1CCC2C1C(=O)NCC(N2C)CCC(=O)N3CCC4=CC=CC=C43 |
| CAS | |
| Splash | |
| Other Names | NAT23-390873 |