N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-(2-{[2-(4-morpholinyl)ethyl]amino}-2-oxoethyl)-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]cyclohexanecarboxamide
11429
Reference
N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-(2-{[2-(4-morpholinyl)ethyl]amino}-2-oxoethyl)-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]cyclohexanecarboxamide Structure
Systematic / IUPAC Name: N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]cyclohexanecarboxamide
ID: Reference11429
Other Names: NAT8-263896
Formula: C29H46N4O5S
Spectral Data
N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-(2-{[2-(4-morpholinyl)ethyl]amino}-2-oxoethyl)-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]cyclohexanecarboxamide 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 | 1945 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/31/2022 10:56:15 AM |
Identificators
| InChI | InChI=1S/C29H46N4O5S/c1-28-9-8-23(35)29(2,18-34)22(28)17-21-25(31-27(39-21)32-26(37)19-6-4-3-5-7-19)20(28)16-24(36)30-10-11-33-12-14-38-15-13-33/h19-20,22-23,34-35H,3-18H2,1-2H3,(H,30,36)(H,31,32,37)/t20-,22+,23-,28+,29+/m1/s1 |
| InChI Key | MHLHSFQSLMWLPW-RUMONJKUSA-N |
| Canonical SMILES | CC12CCC(C(C1CC3=C(C2CC(=O)NCCN4CCOCC4)N=C(S3)NC(=O)C5CCCCC5)(C)CO)O |
| CAS | |
| Splash | |
| Other Names | NAT8-263896 |