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(2S,4S)-N,2,5-trimethyl-4-[(4-methylphenyl)sulfonylamino]-N-[(1S,2S)-1-oxidanyl-1-phenyl-propan-2-yl]hexanamide
SpectraBase Compound ID DMVCZw6Vsd3
InChI InChI=1S/C25H36N2O4S/c1-17(2)23(26-32(30,31)22-14-12-18(3)13-15-22)16-19(4)25(29)27(6)20(5)24(28)21-10-8-7-9-11-21/h7-15,17,19-20,23-24,26,28H,16H2,1-6H3/t19-,20-,23-,24+/m0/s1
InChIKey XTKMKGUPVDFMOV-NVXDSCFRSA-N
Mol Weight 460.6 g/mol
Molecular Formula C25H36N2O4S
Exact Mass 460.239579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMd5ifek0fO
Name (2S,4S)-N,2,5-trimethyl-4-[(4-methylphenyl)sulfonylamino]-N-[(1S,2S)-1-oxidanyl-1-phenyl-propan-2-yl]hexanamide
Alternate Name(s) (2S,4S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,5-trimethyl-4-[(4-methylphenyl)sulfonylamino]hexanamide (2S,4S)-N-[(1S,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-N,2,5-trimethyl-4-(p-tolylsulfonylamino)hexanamide (2S,4S)-N-[(1S,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-N,2,5-trimethyl-4-(tosylamino)hexanamide
Comments Less than 3 mono-isotopic peaks
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Formula C25H36N2O4S
InChI InChI=1S/C25H36N2O4S/c1-17(2)23(26-32(30,31)22-14-12-18(3)13-15-22)16-19(4)25(29)27(6)20(5)24(28)21-10-8-7-9-11-21/h7-15,17,19-20,23-24,26,28H,16H2,1-6H3/t19-,20-,23-,24+/m0/s1
InChIKey XTKMKGUPVDFMOV-NVXDSCFRSA-N
Molecular Weight 460.633 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])(C(C)C)[H]
SPLASH splash10-0006-9030000000-cf8cf932955ee2396747
Source of Spectrum J-66-5805-3
Wiley ID 1535714