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(2S,4R)-N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-N-[(1S,2S)-1-oxidanyl-1-phenyl-propan-2-yl]pentanamide
SpectraBase Compound ID D8mOJPduqXs
InChI InChI=1S/C23H32N2O4S/c1-16-11-13-21(14-12-16)30(28,29)24-18(3)15-17(2)23(27)25(5)19(4)22(26)20-9-7-6-8-10-20/h6-14,17-19,22,24,26H,15H2,1-5H3/t17-,18+,19-,22+/m0/s1
InChIKey BFLVAJUUWCGNDF-LMVRJCEZSA-N
Mol Weight 432.6 g/mol
Molecular Formula C23H32N2O4S
Exact Mass 432.208279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9eYzav0yTh0
Name (2S,4R)-N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-N-[(1S,2S)-1-oxidanyl-1-phenyl-propan-2-yl]pentanamide
Alternate Name(s) (2S,4R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]pentanamide (2S,4R)-N-[(1S,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-N,2-dimethyl-4-(p-tolylsulfonylamino)pentanamide (2S,4R)-N-[(1S,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-N,2-dimethyl-4-(tosylamino)valeramide
Comments Less than 3 mono-isotopic peaks
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Formula C23H32N2O4S
InChI InChI=1S/C23H32N2O4S/c1-16-11-13-21(14-12-16)30(28,29)24-18(3)15-17(2)23(27)25(5)19(4)22(26)20-9-7-6-8-10-20/h6-14,17-19,22,24,26H,15H2,1-5H3/t17-,18+,19-,22+/m0/s1
InChIKey BFLVAJUUWCGNDF-LMVRJCEZSA-N
Molecular Weight 432.579 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)[H]
SPLASH splash10-000i-0900000000-ea1432c3f7b45901a7b8
Source of Spectrum J-66-5805-3
Wiley ID 1535715