N-[(4S,4aS,5S)-6-{(2S)-1-[Allyl(methyl)amino]-1-oxo-2-propanyl}-5-hydroxy-4,8a-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-1-methyl-1H-pyrrole-2-carboxamide
13083
Reference
N-[(4S,4aS,5S)-6-{(2S)-1-[Allyl(methyl)amino]-1-oxo-2-propanyl}-5-hydroxy-4,8a-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-1-methyl-1H-pyrrole-2-carboxamide Structure
Systematic / IUPAC Name: N-[(4S,4aS,5S,8aS)-5-Hydroxy-4,8a-dimethyl-6-[(2S)-1-[methyl(prop-2-enyl)amino]-1-oxopropan-2-yl]-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-2-yl]-1-methylpyrrole-2-carboxamide
ID: Reference13083
Other Names: NAT5-257577
Formula: C26H36N4O3S
Spectral Data
N-[(4S,4aS,5S)-6-{(2S)-1-[Allyl(methyl)amino]-1-oxo-2-propanyl}-5-hydroxy-4,8a-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-1-methyl-1H-pyrrole-2-carboxamide 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 | 1390 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/28/2024 9:52:36 AM |
Identificators
| InChI | InChI=1S/C26H36N4O3S/c1-7-12-30(6)24(33)15(2)17-10-11-26(4)14-19-21(16(3)20(26)22(17)31)27-25(34-19)28-23(32)18-9-8-13-29(18)5/h7-9,13,15-17,20,22,31H,1,10-12,14H2,2-6H3,(H,27,28,32)/t15-,16-,17?,20+,22-,26-/m0/s1 |
| InChI Key | DGAWNTUPABECNS-XRTWMOSBSA-N |
| Canonical SMILES | CC1C2C(C(CCC2(CC3=C1N=C(S3)NC(=O)C4=CC=CN4C)C)C(C)C(=O)N(C)CC=C)O |
| CAS | |
| Splash | |
| Other Names | NAT5-257577 |