(2S)-2-[(1S,7S,8S,8aS)-7-{[(3-Fluorophenyl)carbamoyl]amino}-1-hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]-N-(2-thienylmethyl)propanamide
(2S)-2-[(1S,7S,8S,8aS)-7-{[(3-Fluorophenyl)carbamoyl]amino}-1-hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]-N-(2-thienylmethyl)propanamide Structure
Systematic / IUPAC Name: (2S)-2-[(1S,4aS,7S,8S,8aS)-7-[(3-Fluorophenyl)carbamoylamino]-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide
ID: Reference13332
Other Names:
2-Naphthaleneacetamide, 7-[[[(3-fluorophenyl)amino]carbonyl]amino]decahydro-1-hydroxy-α,4a,8-trimethyl-N-(2-thienylmethyl)-, (alphas,1S,7S,8S,8aS)-;
NAT5-398376
Formula: C27H36FN3O3S
Spectral Data
(2S)-2-[(1S,7S,8S,8aS)-7-{[(3-Fluorophenyl)carbamoyl]amino}-1-hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]-N-(2-thienylmethyl)propanamide 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 | 3240 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/31/2025 12:05:49 PM |
Identificators
| InChI | InChI=1S/C27H36FN3O3S/c1-16(25(33)29-15-20-8-5-13-35-20)21-9-11-27(3)12-10-22(17(2)23(27)24(21)32)31-26(34)30-19-7-4-6-18(28)14-19/h4-8,13-14,16-17,21-24,32H,9-12,15H2,1-3H3,(H,29,33)(H2,30,31,34)/t16-,17+,21?,22-,23+,24-,27-/m0/s1 |
| InChI Key | CSCULXNPJBXCBF-GQEAFVQQSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=CS3)O)C)NC(=O)NC4=CC(=CC=C4)F |
| CAS | |
| Splash | |
| Other Names |
2-Naphthaleneacetamide, 7-[[[(3-fluorophenyl)amino]carbonyl]amino]decahydro-1-hydroxy-α,4a,8-trimethyl-N-(2-thienylmethyl)-, (alphas,1S,7S,8S,8aS)-; NAT5-398376 |