N-[(1S,2S,8S,8aS)-8-Hydroxy-7-{(2S)-1-[(4-methoxybenzyl)amino]-1-oxo-2-propanyl}-1,4a-dimethyldecahydro-2-naphthalenyl]-5-pyrimidinecarboxamide
12785
Reference
N-[(1S,2S,8S,8aS)-8-Hydroxy-7-{(2S)-1-[(4-methoxybenzyl)amino]-1-oxo-2-propanyl}-1,4a-dimethyldecahydro-2-naphthalenyl]-5-pyrimidinecarboxamide Structure
Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-8-Hydroxy-7-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]pyrimidine-5-carboxamide
ID: Reference12785
Other Names: NAT5-397883
Formula: C28H38N4O4
Spectral Data
N-[(1S,2S,8S,8aS)-8-Hydroxy-7-{(2S)-1-[(4-methoxybenzyl)amino]-1-oxo-2-propanyl}-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 | 1756 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/26/2023 4:25:41 PM |
Identificators
| InChI | InChI=1S/C28H38N4O4/c1-17(26(34)31-13-19-5-7-21(36-4)8-6-19)22-9-11-28(3)12-10-23(18(2)24(28)25(22)33)32-27(35)20-14-29-16-30-15-20/h5-8,14-18,22-25,33H,9-13H2,1-4H3,(H,31,34)(H,32,35)/t17-,18+,22?,23-,24+,25-,28-/m0/s1 |
| InChI Key | HRPHEUDJSBVDRZ-SRKORWEXSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=C(C=C3)OC)O)C)NC(=O)C4=CN=CN=C4 |
| CAS | |
| Splash | |
| Other Names | NAT5-397883 |