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(2S,4S)-2-methyl-4-[(4-methylphenyl)sulfonylamino]-5-phenylpentanoic acid methyl ester
SpectraBase Compound ID 7olC07hEfMt
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-WMZOPIPTSA-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 9ilZoZcOkyi
Name (2S,4S)-2-methyl-4-[(4-methylphenyl)sulfonylamino]-5-phenylpentanoic acid methyl ester
Alternate Name(s) (2S,4S)-2-methyl-5-phenyl-4-(tosylamino)valeric acid methyl ester methyl (2S,4S)-2-methyl-5-phenyl-4-(p-tolylsulfonylamino)pentanoate methyl (2S,4S)-2-methyl-4-[(4-methylphenyl)sulfonylamino]-5-phenylpentanoate
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-WMZOPIPTSA-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 splash10-0006-9000000000-262cbee2028fb3fd82b8
Source of Spectrum J-66-5806-5
Wiley ID 1535697