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(+)-(E,Ss,2S,3R)-5-[N-Methyl-S-phenylsulfonimidoyl]-3-methyl-2-[(2-methylpropane-2-sulfonyl)prop-2-ynylamino]pent-4-enoic acid ethyl ester
SpectraBase Compound ID 9XADbBWwAZY
InChI InChI=1S/C22H32N2O5S2/c1-8-16-24(31(27,28)22(4,5)6)20(21(25)29-9-2)18(3)15-17-30(26,23-7)19-13-11-10-12-14-19/h1,10-15,17-18,20H,9,16H2,2-7H3/b17-15+/t18-,20+,30?/m1/s1
InChIKey WQJJWSXYBDHUBY-XFDQMWPJSA-N
Mol Weight 468.6 g/mol
Molecular Formula C22H32N2O5S2
Exact Mass 468.175264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DXaAFHwo2B
Name (+)-(E,Ss,2S,3R)-5-[N-Methyl-S-phenylsulfonimidoyl]-3-methyl-2-[(2-methylpropane-2-sulfonyl)prop-2-ynylamino]pent-4-enoic acid ethyl ester
Alternate Name(s) (E,2S,3R)-2-[tert-butylsulfonyl(prop-2-ynyl)amino]-3-methyl-5-(N-methyl-S-phenylsulfonimidoyl)-4-pentenoic acid ethyl ester Ethyl (E,2S,3R)-2-[tert-butylsulfonyl(prop-2-ynyl)amino]-3-methyl-5-(N-methyl-S-phenylsulfonimidoyl)pent-4-enoate Ethyl (E,2S,3R)-2-[tert-butylsulfonyl(prop-2-ynyl)amino]-3-methyl-5-(N-methyl-S-phenyl-sulfonimidoyl)pent-4-enoate
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Formula C22H32N2O5S2
InChI InChI=1S/C22H32N2O5S2/c1-8-16-24(31(27,28)22(4,5)6)20(21(25)29-9-2)18(3)15-17-30(26,23-7)19-13-11-10-12-14-19/h1,10-15,17-18,20H,9,16H2,2-7H3/b17-15+/t18-,20+,30?/m1/s1
InChIKey WQJJWSXYBDHUBY-XFDQMWPJSA-N
Molecular Weight 468.627 g/mol
SMILES [C@](N(S(C(C)(C)C)(=O)=O)CC#C)(C(=O)OCC)([C@@](\C=C\S(=NC)(=O)c1ccccc1)(C)[H])[H]
SPLASH splash10-0a4i-6931000000-94dd7b743031369c161d
Source of Spectrum F-68-8041-3
Wiley ID 1573534