Systematic / IUPAC Name: (2S)-2-[(4S,4aS,5S,8aS)-5-Hydroxy-4,8a-dimethyl-2-(methylamino)-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-6-yl]-N-cyclopropylpropanamide
ID: Reference13054
Other Names: NAT5-256950
Formula: C20H31N3O2S
(2S)-N-Cyclopropyl-2-[(4S,4aS,5S,8aS)-5-hydroxy-4,8a-dimethyl-2-(methylamino)-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-6-yl]propanamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 424 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 3/7/2024 1:11:59 PM |
InChI | InChI=1S/C20H31N3O2S/c1-10(18(25)22-12-5-6-12)13-7-8-20(3)9-14-16(23-19(21-4)26-14)11(2)15(20)17(13)24/h10-13,15,17,24H,5-9H2,1-4H3,(H,21,23)(H,22,25)/t10-,11-,13?,15+,17-,20-/m0/s1 |
InChI Key | FXBYIZYYANCMKC-NEHQURBSSA-N |
Canonical SMILES | CC1C2C(C(CCC2(CC3=C1N=C(S3)NC)C)C(C)C(=O)NC4CC4)O |
CAS | |
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Other Names | NAT5-256950 |