| SpectraBase Spectrum ID |
7p6e8oLqBu8 |
| Name |
(3aS,6aR)-1,3-dibenzyl-4-ene-tetrahydro-1H-thiophene[3,4-d]imidazole-2(3H)-one-4-yl-valeric acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H26N2O3S |
| InChI |
InChI=1S/C24H26N2O3S/c27-22(28)14-8-7-13-21-23-20(17-30-21)25(15-18-9-3-1-4-10-18)24(29)26(23)16-19-11-5-2-6-12-19/h1-6,9-13,20,23H,7-8,14-17H2,(H,27,28)/t20-,23-/m0/s1 |
| InChIKey |
GQKNDJQLKMPRRK-REWPJTCUSA-N |
| Ionization Type |
EI |
| Molecular Weight |
422.543 g/mol |
| Optical Rotation |
[a]D22 = 20.73 (c = 1.0, CH3OH) |
| SMILES |
OC(CCCC=C1[C@@]2([C@](CS1)(N(C(N2Cc1ccccc1)=O)Cc1ccccc1)[H])[H])=O |
| SPLASH |
splash10-05mo-6129000000-932dee7b16f909f63aa6 |
| Source of Spectrum |
CN106892931B |
| Wiley ID |
1872544 |
![(3aS,6aR)-1,3-dibenzyl-4-ene-tetrahydro-1H-thiophene[3,4-d]imidazole-2(3H)-one-4-yl-valeric acid](/api/spectrum/7p6e8oLqBu8/structure.png?h=300&w=458 "(3aS,6aR)-1,3-dibenzyl-4-ene-tetrahydro-1H-thiophene[3,4-d]imidazole-2(3H)-one-4-yl-valeric acid")
