N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(2-Cyanoethyl)(methyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]-4-methoxybenzamide
13324
Reference
N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(2-Cyanoethyl)(methyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]-4-methoxybenzamide Structure
Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-7-[(2S)-1-[2-Cyanoethyl(methyl)amino]-1-oxopropan-2-yl]-8-hydroxy-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-4-methoxybenzamide
ID: Reference13324
Other Names: NAT5-396554
Formula: C27H39N3O4
Spectral Data
N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(2-Cyanoethyl)(methyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]-4-methoxybenzamide 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 | 3519 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/17/2025 8:19:16 PM |
Identificators
| InChI | InChI=1S/C27H39N3O4/c1-17(26(33)30(4)16-6-15-28)21-11-13-27(3)14-12-22(18(2)23(27)24(21)31)29-25(32)19-7-9-20(34-5)10-8-19/h7-10,17-18,21-24,31H,6,11-14,16H2,1-5H3,(H,29,32)/t17-,18+,21?,22-,23+,24-,27-/m0/s1 |
| InChI Key | PPZIXERGFHCLLL-VZGQOTKXSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)N(C)CCC#N)O)C)NC(=O)C3=CC=C(C=C3)OC |
| CAS | |
| Splash | |
| Other Names | NAT5-396554 |