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(2S,4'S,5'R)-2-Amino-1-(3',4'-dimethyl-2'-oxo-5'-phenyl-1'-imidazolyldinyl)-4-phenylbutane-1,4-dione
SpectraBase Compound ID 8WYFbivEjRh
InChI InChI=1S/C21H23N3O3/c1-14-19(16-11-7-4-8-12-16)24(21(27)23(14)2)20(26)17(22)13-18(25)15-9-5-3-6-10-15/h3-12,14,17,19H,13,22H2,1-2H3/t14-,17?,19-/m0/s1
InChIKey HNGCAGCJXFPXAQ-OZIHFDBSSA-N
Mol Weight 365.43 g/mol
Molecular Formula C21H23N3O3
Exact Mass 365.173942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 92abt4ld6Ku
Name (2S,4'S,5'R)-2-Amino-1-(3',4'-dimethyl-2'-oxo-5'-phenyl-1'-imidazolyldinyl)-4-phenylbutane-1,4-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.173941610 u
Formula C21H23N3O3
InChI InChI=1S/C21H23N3O3/c1-14-19(16-11-7-4-8-12-16)24(21(27)23(14)2)20(26)17(22)13-18(25)15-9-5-3-6-10-15/h3-12,14,17,19H,13,22H2,1-2H3/t14-,17?,19-/m0/s1
InChIKey HNGCAGCJXFPXAQ-OZIHFDBSSA-N
Molecular Weight 365.433 g/mol
SMILES C1(N([C@@]([C@@](N1C)(C)[H])(C1=CC=CC=C1)[H])C(C(CC(=O)C1=CC=CC=C1)N)=O)=O