Systematic / IUPAC Name: 1-[(3S,3aR,6S,6aR)-6-[5-[3-(Dimethylamino)phenoxy]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-naphthalen-1-ylurea
ID: Reference10488
Other Names:
L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[5-[3-(dimethylamino)phenoxy]-1H-tetrazol-1-yl]-5-[[(1-naphthalenylamino)carbonyl]amino]-;
NAT6-298297
Formula: C26H27N7O4
1,4:3,6-Dianhydro-2,5-dideoxy-2-{5-[3-(dimethylamino)phenoxy]-1H-tetrazol-1-yl}-5-[(1-naphthylcarbamoyl)amino]-L-iditol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 2 |
No. of Spectra | 4965 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 5/21/2021 12:49:29 PM |
InChI | InChI=1S/C26H27N7O4/c1-32(2)17-9-6-10-18(13-17)37-26-29-30-31-33(26)22-15-36-23-21(14-35-24(22)23)28-25(34)27-20-12-5-8-16-7-3-4-11-19(16)20/h3-13,21-24H,14-15H2,1-2H3,(H2,27,28,34)/t21-,22-,23+,24+/m0/s1 |
InChI Key | HDDXTZLXYZLUPA-CJRSTVEYSA-N |
Canonical SMILES | CN(C)C1=CC(=CC=C1)OC2=NN=NN2C3COC4C3OCC4NC(=O)NC5=CC=CC6=CC=CC=C65 |
CAS | |
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Other Names |
L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[5-[3-(dimethylamino)phenoxy]-1H-tetrazol-1-yl]-5-[[(1-naphthalenylamino)carbonyl]amino]-; NAT6-298297 |