N-[(4S,4aS,5S)-5-Hydroxy-4,8a-dimethyl-6-{(2S)-1-[methyl(2-propyn-1-yl)amino]-1-oxo-2-propanyl}-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]cyclopropanecarboxamide
11898
Reference
N-[(4S,4aS,5S)-5-Hydroxy-4,8a-dimethyl-6-{(2S)-1-[methyl(2-propyn-1-yl)amino]-1-oxo-2-propanyl}-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]cyclopropanecarboxamide Structure
Systematic / IUPAC Name: N-[(4S,4aS,5S,8aS)-5-Hydroxy-4,8a-dimethyl-6-[(2S)-1-[methyl(prop-2-ynyl)amino]-1-oxopropan-2-yl]-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-2-yl]cyclopropanecarboxamide
ID: Reference11898
Other Names: NAT5-257258
Formula: C24H33N3O3S
Spectral Data
N-[(4S,4aS,5S)-5-Hydroxy-4,8a-dimethyl-6-{(2S)-1-[methyl(2-propyn-1-yl)amino]-1-oxo-2-propanyl}-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]cyclopropanecarboxamide 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 | 1179 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/31/2022 12:33:38 PM |
Identificators
| InChI | InChI=1S/C24H33N3O3S/c1-6-11-27(5)22(30)13(2)16-9-10-24(4)12-17-19(14(3)18(24)20(16)28)25-23(31-17)26-21(29)15-7-8-15/h1,13-16,18,20,28H,7-12H2,2-5H3,(H,25,26,29)/t13-,14-,16?,18+,20-,24-/m0/s1 |
| InChI Key | ABQRCHDMUQMNJB-MDJYWALOSA-N |
| Canonical SMILES | CC1C2C(C(CCC2(CC3=C1N=C(S3)NC(=O)C4CC4)C)C(C)C(=O)N(C)CC#C)O |
| CAS | |
| Splash | |
| Other Names | NAT5-257258 |