1,4:3,6-Dianhydro-2-[(2-carboxybenzoyl)amino]-2,5-dideoxy-5-({4-[4-(dimethylamino)phenyl]-2-pyrimidinyl}amino)-L-iditol
10518
Reference
1,4:3,6-Dianhydro-2-[(2-carboxybenzoyl)amino]-2,5-dideoxy-5-({4-[4-(dimethylamino)phenyl]-2-pyrimidinyl}amino)-L-iditol Structure
Systematic / IUPAC Name: 2-[[(3S,3aR,6S,6aR)-3-[[4-[4-(Dimethylamino)phenyl]pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]carbamoyl]benzoic acid
ID: Reference10518
Other Names: NAT6-319235
Formula: C26H27N5O5
Spectral Data
1,4:3,6-Dianhydro-2-[(2-carboxybenzoyl)amino]-2,5-dideoxy-5-({4-[4-(dimethylamino)phenyl]-2-pyrimidinyl}amino)-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 | 1 |
| No. of Spectra | 631 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/4/2021 11:30:48 AM |
Identificators
| InChI | InChI=1S/C26H27N5O5/c1-31(2)16-9-7-15(8-10-16)19-11-12-27-26(29-19)30-21-14-36-22-20(13-35-23(21)22)28-24(32)17-5-3-4-6-18(17)25(33)34/h3-12,20-23H,13-14H2,1-2H3,(H,28,32)(H,33,34)(H,27,29,30)/t20-,21-,22+,23+/m0/s1 |
| InChI Key | UHFRFIMMEQYWQY-MYDTUXCISA-N |
| Canonical SMILES | CN(C)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3COC4C3OCC4NC(=O)C5=CC=CC=C5C(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT6-319235 |