N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4-(2-{[(2R)-1-hydroxy-4-methyl-2-pentanyl]amino}-2-oxoethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]hexanamide
12300
Reference
N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4-(2-{[(2R)-1-hydroxy-4-methyl-2-pentanyl]amino}-2-oxoethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]hexanamide Structure
Systematic / IUPAC Name: N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4-[2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-2-oxoethyl]-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]hexanamide
ID: Reference12300
Other Names: NAT8-283495
Formula: C28H47N3O5S
Spectral Data
N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4-(2-{[(2R)-1-hydroxy-4-methyl-2-pentanyl]amino}-2-oxoethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]hexanamide 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 | 2000 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/24/2023 1:24:22 PM |
Identificators
| InChI | InChI=1S/C28H47N3O5S/c1-6-7-8-9-23(35)30-26-31-25-19(13-24(36)29-18(15-32)12-17(2)3)27(4)11-10-22(34)28(5,16-33)21(27)14-20(25)37-26/h17-19,21-22,32-34H,6-16H2,1-5H3,(H,29,36)(H,30,31,35)/t18-,19-,21+,22-,27+,28+/m1/s1 |
| InChI Key | XSWWQIWPNFPXOE-SVONZJCISA-N |
| Canonical SMILES | CCCCCC(=O)NC1=NC2=C(S1)CC3C(C2CC(=O)NC(CC(C)C)CO)(CCC(C3(C)CO)O)C |
| CAS | |
| Splash | |
| Other Names | NAT8-283495 |