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(2S,4R)-N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-N-[(1S,2S)-1-oxidanyl-1-phenyl-propan-2-yl]-5-phenyl-pentanamide
SpectraBase Compound ID JwDaU6A2mpt
InChI InChI=1S/C29H36N2O4S/c1-21-15-17-27(18-16-21)36(34,35)30-26(20-24-11-7-5-8-12-24)19-22(2)29(33)31(4)23(3)28(32)25-13-9-6-10-14-25/h5-18,22-23,26,28,30,32H,19-20H2,1-4H3/t22-,23-,26+,28+/m0/s1
InChIKey SJQZUHWAMFXKEM-YAFZCOTISA-N
Mol Weight 508.7 g/mol
Molecular Formula C29H36N2O4S
Exact Mass 508.239579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFUrr1DWa99
Name (2S,4R)-N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-N-[(1S,2S)-1-oxidanyl-1-phenyl-propan-2-yl]-5-phenyl-pentanamide
Comments Less than 3 mono-isotopic peaks
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Formula C29H36N2O4S
InChI InChI=1S/C29H36N2O4S/c1-21-15-17-27(18-16-21)36(34,35)30-26(20-24-11-7-5-8-12-24)19-22(2)29(33)31(4)23(3)28(32)25-13-9-6-10-14-25/h5-18,22-23,26,28,30,32H,19-20H2,1-4H3/t22-,23-,26+,28+/m0/s1
InChIKey SJQZUHWAMFXKEM-YAFZCOTISA-N
Molecular Weight 508.677 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])(Cc1ccccc1)[H]
SPLASH splash10-052f-9600000000-60f81010ac8664786b2e
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]-5-phenylpentanamide (2S,4R)-N-[(1S,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-N,2-dimethyl-5-phenyl-4-(p-tolylsulfonylamino)pentanamide (2S,4R)-N-[(1S,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-N,2-dimethyl-5-phenyl-4-(tosylamino)valeramide
Wiley ID 1535717