| SpectraBase Spectrum ID |
4qTwRhP7YBG |
| Name |
#4;(18R,19R)-19-Fluoro-18-(hydroxymethyl)-17-oxa-4,14,21-triazahexacyclo-[19.6.1.1(7,14).0(2,6).0(8,13).0(22,27)]-nonacosa-1(28),2(6),7(29),8,10,12,22(27),23,2 |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
459.159434359 u |
| Formula |
C26H22FN3O4 |
| InChI |
InChI=1S/C26H22FN3O4/c27-19-13-30-12-18(16-6-2-4-8-21(16)30)24-23(25(32)28-26(24)33)17-11-29(9-10-34-22(19)14-31)20-7-3-1-5-15(17)20/h1-8,11-12,19,22,31H,9-10,13-14H2,(H,28,32,33)/t19-,22-/m1/s1 |
| InChIKey |
APVNUYSTGPZNSJ-DENIHFKCSA-N |
| Molecular Weight |
459.477 g/mol |
| SMILES |
C(O)[C@@]1([C@](F)(CN2C=C(C3=CC=CC=C23)C2=C(C(=O)NC2=O)C2=CN(C=3C2=CC=CC3)CCO1)[H])[H] |
![#4;(18R,19R)-19-Fluoro-18-(hydroxymethyl)-17-oxa-4,14,21-triazahexacyclo-[19.6.1.1(7,14).0(2,6).0(8,13).0(22,27)]-nonacosa-1(28),2(6),7(29),8,10,12,22(27),23,2](/api/spectrum/4qTwRhP7YBG/structure.png?h=300&w=458 "#4;(18R,19R)-19-Fluoro-18-(hydroxymethyl)-17-oxa-4,14,21-triazahexacyclo-[19.6.1.1(7,14).0(2,6).0(8,13).0(22,27)]-nonacosa-1(28),2(6),7(29),8,10,12,22(27),23,2")
