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(4S)-1-((2R)-1-Chlorobutan-2-yl)-2,6-dioxo-5-chloro-4-methyl-3-phenyl-5-(N-phenylcarbamoyl)perhydropyrimidine
SpectraBase Compound ID 7rfTUWcemou
InChI InChI=1S/C22H23Cl2N3O3/c1-3-17(14-23)27-20(29)22(24,19(28)25-16-10-6-4-7-11-16)15(2)26(21(27)30)18-12-8-5-9-13-18/h4-13,15,17H,3,14H2,1-2H3,(H,25,28)/t15-,17+,22?/m0/s1
InChIKey YCJQDHVUHPYAFX-DHVIMCKQSA-N
Mol Weight 448.35 g/mol
Molecular Formula C22H23Cl2N3O3
Exact Mass 447.111647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABsBAlV1l3E
Name (4S)-1-((2R)-1-Chlorobutan-2-yl)-2,6-dioxo-5-chloro-4-methyl-3-phenyl-5-(N-phenylcarbamoyl)perhydropyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23Cl2N3O3
InChI InChI=1S/C22H23Cl2N3O3/c1-3-17(14-23)27-20(29)22(24,19(28)25-16-10-6-4-7-11-16)15(2)26(21(27)30)18-12-8-5-9-13-18/h4-13,15,17H,3,14H2,1-2H3,(H,25,28)/t15-,17+,22?/m0/s1
InChIKey YCJQDHVUHPYAFX-DHVIMCKQSA-N
Molecular Weight 448.350 g/mol
SMILES N(C(C1([C@@](N(C(N(C1=O)[C@@](CCl)(CC)[H])=O)c1ccccc1)(C)[H])Cl)=O)c1ccccc1
SPLASH splash10-0ar0-9200000000-c98aab1e21c1c9365b62
Source of Spectrum F-57-10146-21
Synonyms (4S)-5-chloro-1-[(1R)-1-(chloromethyl)propyl]-4-methyl-2,6-dioxo-N,3-diphenylhexahydro-5-pyrimidinecarboxamide
Wiley ID 1626735