1,4:3,6-Dianhydro-2-[(4-cyclopentyl-2-pyrimidinyl)amino]-2,5-dideoxy-5-{[(4-phenoxyphenyl)carbamoyl]amino}-L-iditol
10534
Reference
1,4:3,6-Dianhydro-2-[(4-cyclopentyl-2-pyrimidinyl)amino]-2,5-dideoxy-5-{[(4-phenoxyphenyl)carbamoyl]amino}-L-iditol Structure
Systematic / IUPAC Name: 1-[(3S,3aR,6S,6aR)-3-[(4-Cyclopentylpyrimidin-2-yl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(4-phenoxyphenyl)urea
ID: Reference10534
Other Names: NAT6-322203
Formula: C28H31N5O4
Spectral Data
1,4:3,6-Dianhydro-2-[(4-cyclopentyl-2-pyrimidinyl)amino]-2,5-dideoxy-5-{[(4-phenoxyphenyl)carbamoyl]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 | 2 |
| No. of Spectra | 4004 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/11/2021 11:08:51 AM |
Identificators
| InChI | InChI=1S/C28H31N5O4/c34-28(30-19-10-12-21(13-11-19)37-20-8-2-1-3-9-20)33-24-17-36-25-23(16-35-26(24)25)32-27-29-15-14-22(31-27)18-6-4-5-7-18/h1-3,8-15,18,23-26H,4-7,16-17H2,(H,29,31,32)(H2,30,33,34)/t23-,24-,25+,26+/m0/s1 |
| InChI Key | XAFYEFPBBKQZCX-QEGGNFSNSA-N |
| Canonical SMILES | C1CCC(C1)C2=NC(=NC=C2)NC3COC4C3OCC4NC(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6 |
| CAS | |
| Splash | |
| Other Names | NAT6-322203 |