SpectraBase Spectrum ID |
ByguzP2ddO7 |
Name |
(3S,4'S,5'R)-4-(3',4'-Dimethyl-2'-oxo-5'-phenyl-1'-imidazolyldinyl)-3-(diphenylmethyleneamino)-4-oxopentanenitrile |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
464.221226156 u |
Formula |
C29H28N4O2 |
InChI |
InChI=1S/C29H28N4O2/c1-21-27(24-17-10-5-11-18-24)33(29(35)32(21)2)28(34)25(19-12-20-30)31-26(22-13-6-3-7-14-22)23-15-8-4-9-16-23/h3-11,13-18,21,25,27H,12,19H2,1-2H3/t21-,25-,27-/m0/s1 |
InChIKey |
ILLQHMJVBSFZFJ-NOOLENRPSA-N |
Molecular Weight |
464.569 g/mol |
SMILES |
C1(N([C@@]([C@@](N1C)(C)[H])(C1=CC=CC=C1)[H])C([C@@](N=C(C=1C=CC=CC1)C1=CC=CC=C1)(CCC#N)[H])=O)=O |