N-{(1S,2S,4aS,7S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(1-piperidinyl)-2-propanyl]decahydro-2-naphthalenyl}-5-pyrimidinecarboxamide
11030
Reference
N-{(1S,2S,4aS,7S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(1-piperidinyl)-2-propanyl]decahydro-2-naphthalenyl}-5-pyrimidinecarboxamide Structure
Systematic / IUPAC Name: N-[(1S,2S,4aS,7S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]pyrimidine-5-carboxamide
ID: Reference11030
Other Names: NAT5-397895
Formula: C25H38N4O3
Spectral Data
N-{(1S,2S,4aS,7S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(1-piperidinyl)-2-propanyl]decahydro-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 | 1444 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/12/2021 7:16:46 AM |
Identificators
| InChI | InChI=1S/C25H38N4O3/c1-16(24(32)29-11-5-4-6-12-29)19-7-9-25(3)10-8-20(17(2)21(25)22(19)30)28-23(31)18-13-26-15-27-14-18/h13-17,19-22,30H,4-12H2,1-3H3,(H,28,31)/t16-,17+,19-,20-,21+,22-,25-/m0/s1 |
| InChI Key | KJAKCBZONDTXTR-XWGHHAAHSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)N3CCCCC3)O)C)NC(=O)C4=CN=CN=C4 |
| CAS | |
| Splash | |
| Other Names | NAT5-397895 |