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[2S,4R]-(-)-Methyl 2-Methyl-5-phenyl-4-(p-toluenesulfonylamino)pentanoate
SpectraBase Compound ID Fodyhfxl77r
InChI InChI=1S/C20H25NO4S/c1-15-9-11-19(12-10-15)26(23,24)21-18(13-16(2)20(22)25-3)14-17-7-5-4-6-8-17/h4-12,16,18,21H,13-14H2,1-3H3/t16-,18+/m0/s1
InChIKey BSTQMQDTTDGTIF-FUHWJXTLSA-N
Mol Weight 375.48 g/mol
Molecular Formula C20H25NO4S
Exact Mass 375.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9RKgorkJAuV
Name [2S,4R]-(-)-Methyl 2-Methyl-5-phenyl-4-(p-toluenesulfonylamino)pentanoate
Comments Less than 3 mono-isotopic peaks
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Formula C20H25NO4S
InChI InChI=1S/C20H25NO4S/c1-15-9-11-19(12-10-15)26(23,24)21-18(13-16(2)20(22)25-3)14-17-7-5-4-6-8-17/h4-12,16,18,21H,13-14H2,1-3H3/t16-,18+/m0/s1
InChIKey BSTQMQDTTDGTIF-FUHWJXTLSA-N
Molecular Weight 375.483 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@](C[C@@](C(=O)OC)(C)[H])(Cc1ccccc1)[H]
SPLASH splash10-0006-9000000000-7d3dc0bff8eb122825ac
Source of Spectrum J-66-5806-5
Synonyms methyl (2S,4R)-2-methyl-4-{[(4-methylphenyl)sulfonyl]amino}-5-phenylpentanoate (2S,4R)-2-methyl-4-[(4-methylphenyl)sulfonylamino]-5-phenylpentanoic acid methyl ester methyl (2S,4R)-2-methyl-4-[(4-methylphenyl)sulfonylamino]-5-phenylpentanoate methyl (2S,4R)-2-methyl-5-phenyl-4-(p-tolylsulfonylamino)pentanoate methyl (2S,4R)-2-methyl-4-[(4-methylphenyl)sulfonylamino]-5-phenyl-pentanoate
Wiley ID 1535701