| SpectraBase Spectrum ID |
K1PwnwjObCw |
| Name |
Nummularine -D |
| Alternate Name(s) |
N-[7-isobutyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methyl-2-(methylamino)pentanamide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H40N4O4 |
| InChI |
InChI=1S/C30H40N4O4/c1-6-20(4)25(31-5)29(36)34-26-27(22-10-8-7-9-11-22)38-23-14-12-21(13-15-23)16-17-32-28(35)24(18-19(2)3)33-30(26)37/h7-17,19-20,24-27,31H,6,18H2,1-5H3,(H,32,35)(H,33,37)(H,34,36)/b17-16- |
| InChIKey |
IEXIITHULMXRDC-MSUUIHNZSA-N |
| Molecular Weight |
520.674 g/mol |
| SMILES |
N1C(C(N\C=C/c2ccc(OC(C(C1=O)NC(C(NC)C(CC)C)=O)c1ccccc1)cc2)=O)CC(C)C |
| SPLASH |
splash10-002o-9122000000-f19aaf1b8162bc28ebc1 |
| Source of Spectrum |
W-0-772-24 |
| Wiley ID |
754271 |
