| SpectraBase Spectrum ID |
HG4d00r4LmL |
| Name |
macrocyclic NAD/NADH |
| Alternate Name(s) |
(16R,21R)-1,9,15,22-tetraazapentacyclo[22.3.1.1(3,7).1(9,13).0(16,21)]triaconta-3(30),4,6,10,13(29),24(28),26-heptaene-14,23-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H30N4O2 |
| InChI |
InChI=1S/C26H30N4O2/c31-25-21-8-4-12-29(17-21)15-19-6-3-7-20(14-19)16-30-13-5-9-22(18-30)26(32)28-24-11-2-1-10-23(24)27-25/h3-7,12-14,17-18,23-24H,1-2,8-11,15-16H2,(H,27,31)(H,28,32)/t23-,24-/m1/s1 |
| InChIKey |
MJQXEZSUYLDYOO-DNQXCXABSA-N |
| Molecular Weight |
430.552 g/mol |
| SMILES |
N1[C@]2([C@](NC(C3=CN(Cc4cc(CN5C=C(C1=O)CC=C5)ccc4)C=CC3)=O)(CCCC2)[H])[H] |
| SPLASH |
splash10-0m1j-2971200000-2feae419d4c02fd641d7 |
| Source of Spectrum |
AT-33-1754-1 |
| Wiley ID |
836173 |
