| SpectraBase Spectrum ID |
Dqewn7LkHR2 |
| Name |
Pentanamide, 2-(dimethylamino)-3-methyl-N-[7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-, [3R-[3R*,4S*(2S*,3R*),7S*]]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
536.336255909 u |
| Formula |
C31H44N4O4 |
| InChI |
InChI=1S/C31H44N4O4/c1-7-21(4)27(35(5)6)31(38)34-26-28(23-11-9-8-10-12-23)39-24-15-13-22(14-16-24)17-18-32-29(36)25(19-20(2)3)33-30(26)37/h8-16,20-21,25-28H,7,17-19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38) |
| InChIKey |
ODDJEYUIZWWSGK-UHFFFAOYSA-N |
| Molecular Weight |
536.717 g/mol |
| SMILES |
C1(OC2=CC=C(CCNC(C(NC(C1NC(C(N(C)C)C(CC)C)=O)=O)CC(C)C)=O)C=C2)C1=CC=CC=C1 |
![Pentanamide, 2-(dimethylamino)-3-methyl-N-[7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-, [3R-[3R*,4S*(2S*,3R*),7S*]]-](/api/spectrum/Dqewn7LkHR2/structure.png?h=300&w=458 "Pentanamide, 2-(dimethylamino)-3-methyl-N-[7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-, [3R-[3R*,4S*(2S*,3R*),7S*]]-")
