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[2S,4R,1'S,2'S]-(+)-N,2-Dimethyl-4-phenyl-N-(2'-phenyl-2'-hydroxy-1'-methylethyl)-4-(p-toluenesulfonylamino)butamide
SpectraBase Compound ID 3Fkb8SE1FGz
InChI InChI=1S/C28H34N2O4S/c1-20-15-17-25(18-16-20)35(33,34)29-26(23-11-7-5-8-12-23)19-21(2)28(32)30(4)22(3)27(31)24-13-9-6-10-14-24/h5-18,21-22,26-27,29,31H,19H2,1-4H3/t21-,22-,26+,27+/m0/s1
InChIKey BSCIFLISZCHXRT-DOQQYFFYSA-N
Mol Weight 494.7 g/mol
Molecular Formula C28H34N2O4S
Exact Mass 494.223929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YUaHi16dXW
Name [2S,4R,1'S,2'S]-(+)-N,2-Dimethyl-4-phenyl-N-(2'-phenyl-2'-hydroxy-1'-methylethyl)-4-(p-toluenesulfonylamino)butamide
Comments Less than 3 mono-isotopic peaks
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Formula C28H34N2O4S
InChI InChI=1S/C28H34N2O4S/c1-20-15-17-25(18-16-20)35(33,34)29-26(23-11-7-5-8-12-23)19-21(2)28(32)30(4)22(3)27(31)24-13-9-6-10-14-24/h5-18,21-22,26-27,29,31H,19H2,1-4H3/t21-,22-,26+,27+/m0/s1
InChIKey BSCIFLISZCHXRT-DOQQYFFYSA-N
Molecular Weight 494.650 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@](C[C@@](C(N([C@]([C@](c1ccccc1)(O)[H])(C)[H])C)=O)(C)[H])(c1ccccc1)[H]
SPLASH splash10-0006-0090000000-d5e1b0a9be00784ddc82
Source of Spectrum J-66-5804-3
Synonyms (2S,4R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-4-phenylbutanamide (2S,4R)-N-[(1S,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-N,2-dimethyl-4-phenyl-4-(p-tolylsulfonylamino)butanamide (2S,4R)-N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-N-[(1S,2S)-1-oxidanyl-1-phenyl-propan-2-yl]-4-phenyl-butanamide
Wiley ID 1535720