N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(4-Fluorobenzyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]-5-pyrimidinecarboxamide
12137
Reference
N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(4-Fluorobenzyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]-5-pyrimidinecarboxamide Structure
Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-7-[(2S)-1-[(4-Fluorophenyl)methylamino]-1-oxopropan-2-yl]-8-hydroxy-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]pyrimidine-5-carboxamide
ID: Reference12137
Other Names: NAT5-397878
Formula: C27H35FN4O3
Spectral Data
N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(4-Fluorobenzyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]-5-pyrimidinecarboxamide 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 | 3148 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/16/2023 1:47:47 PM |
Identificators
| InChI | InChI=1S/C27H35FN4O3/c1-16(25(34)31-12-18-4-6-20(28)7-5-18)21-8-10-27(3)11-9-22(17(2)23(27)24(21)33)32-26(35)19-13-29-15-30-14-19/h4-7,13-17,21-24,33H,8-12H2,1-3H3,(H,31,34)(H,32,35)/t16-,17+,21?,22-,23+,24-,27-/m0/s1 |
| InChI Key | FNWGALDAHQOJIU-GQEAFVQQSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=C(C=C3)F)O)C)NC(=O)C4=CN=CN=C4 |
| CAS | |
| Splash | |
| Other Names | NAT5-397878 |