| SpectraBase Spectrum ID |
8rIByR8LIIB |
| Name |
(3R,6R)-6-Isopropyl-1-methyl-3-[(1-(phenylsulfonyl)-1H-indol-3-yl)methyl]piperazine-2,5-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.156577467 u |
| Formula |
C23H25N3O4S |
| InChI |
InChI=1S/C23H25N3O4S/c1-15(2)21-22(27)24-19(23(28)25(21)3)13-16-14-26(20-12-8-7-11-18(16)20)31(29,30)17-9-5-4-6-10-17/h4-12,14-15,19,21H,13H2,1-3H3,(H,24,27)/t19-,21-/m1/s1 |
| InChIKey |
ZTYCSZWJRVIJOQ-TZIWHRDSSA-N |
| Molecular Weight |
439.530 g/mol |
| SMILES |
C1(N([C@@](C(N[C@@]1(CC1=CN(C2=C1C=CC=C2)S(=O)(=O)C1=CC=CC=C1)[H])=O)(C(C)C)[H])C)=O |
![(3R,6R)-6-Isopropyl-1-methyl-3-[(1-(phenylsulfonyl)-1H-indol-3-yl)methyl]piperazine-2,5-dione](/api/spectrum/8rIByR8LIIB/structure.png?h=300&w=458 "(3R,6R)-6-Isopropyl-1-methyl-3-[(1-(phenylsulfonyl)-1H-indol-3-yl)methyl]piperazine-2,5-dione")
