1,4:3,6-Dianhydro-2-[(cyclohexylcarbonyl)amino]-5-[(4-cyclopentyl-2-pyrimidinyl)amino]-2,5-dideoxy-L-iditol
11065
Reference
1,4:3,6-Dianhydro-2-[(cyclohexylcarbonyl)amino]-5-[(4-cyclopentyl-2-pyrimidinyl)amino]-2,5-dideoxy-L-iditol Structure
Systematic / IUPAC Name: N-[(3S,3aR,6S,6aR)-3-[(4-Cyclopentylpyrimidin-2-yl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclohexanecarboxamide
ID: Reference11065
Other Names: NAT6-322148
Formula: C22H32N4O3
Spectral Data
1,4:3,6-Dianhydro-2-[(cyclohexylcarbonyl)amino]-5-[(4-cyclopentyl-2-pyrimidinyl)amino]-2,5-dideoxy-L-iditol 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 | 2 |
| No. of Spectra | 2427 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/26/2021 10:16:51 AM |
Identificators
| InChI | InChI=1S/C22H32N4O3/c27-21(15-8-2-1-3-9-15)24-17-12-28-20-18(13-29-19(17)20)26-22-23-11-10-16(25-22)14-6-4-5-7-14/h10-11,14-15,17-20H,1-9,12-13H2,(H,24,27)(H,23,25,26)/t17-,18-,19+,20+/m0/s1 |
| InChI Key | LLDVCTGTRWOVHQ-VNTMZGSJSA-N |
| Canonical SMILES | C1CCC(CC1)C(=O)NC2COC3C2OCC3NC4=NC=CC(=N4)C5CCCC5 |
| CAS | |
| Splash | |
| Other Names | NAT6-322148 |