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Glycine, N-[4-[2-cyano-3-[4-[(ethylsulfonyl)amino]phenyl]-3-oxo-1-propen-1-yl]phenyl]-N-[2-(1-methylethoxy)-2-oxoethyl]-, 1-methylethyl ester
SpectraBase Compound ID FtO75TX7sp
InChI InChI=1S/C28H33N3O7S/c1-6-39(35,36)30-24-11-9-22(10-12-24)28(34)23(16-29)15-21-7-13-25(14-8-21)31(17-26(32)37-19(2)3)18-27(33)38-20(4)5/h7-15,19-20,30H,6,17-18H2,1-5H3/b23-15-
InChIKey OKOOFIFHGGAOHR-HAHDFKILSA-N
Mol Weight 555.6 g/mol
Molecular Formula C28H33N3O7S
Exact Mass 555.203922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZsAjLMYhzX
Name Glycine, N-[4-[2-cyano-3-[4-[(ethylsulfonyl)amino]phenyl]-3-oxo-1-propen-1-yl]phenyl]-N-[2-(1-methylethoxy)-2-oxoethyl]-, 1-methylethyl ester
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Formula C28H33N3O7S
InChI InChI=1S/C28H33N3O7S/c1-6-39(35,36)30-24-11-9-22(10-12-24)28(34)23(16-29)15-21-7-13-25(14-8-21)31(17-26(32)37-19(2)3)18-27(33)38-20(4)5/h7-15,19-20,30H,6,17-18H2,1-5H3/b23-15-
InChIKey OKOOFIFHGGAOHR-HAHDFKILSA-N
Molecular Weight 555.646 g/mol
SMILES N(S(CC)(=O)=O)c1ccc(cc1)C(=O)\C(=C/c1ccc(cc1)N(CC(=O)OC(C)C)CC(=O)OC(C)C)C#N
SPLASH splash10-016r-3521920000-c608b63daed4cc2299d3
Source of Spectrum JX-2015-4-1174
Synonyms diisopropyl 2,2'-((4-(2-cyano-3-(4-(ethylsulfonamido)phenyl)-3-oxoprop-1-en-1-yl)phenyl)azanediyl)diacetate 2-[4-[2-cyano-3-[4-(ethylsulfonylamino)phenyl]-3-oxoprop-1-enyl]-N-(2-oxo-2-propan-2-yloxyethyl)anilino]acetic acid propan-2-yl ester Propan-2-yl 2-[4-[2-cyano-3-[4-(ethylsulfonylamino)phenyl]-3-oxoprop-1-enyl]-N-(2-oxo-2-propan-2-yloxyethyl)anilino]acetate Isopropyl 2-[4-[2-cyano-3-[4-(ethylsulfonylamino)phenyl]-3-oxo-prop-1-enyl]-N-(2-isopropoxy-2-oxo-ethyl)anilino]acetate Propan-2-yl 2-[[4-[2-cyano-3-[4-(ethylsulfonylamino)phenyl]-3-oxidanylidene-prop-1-enyl]phenyl]-(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]ethanoate
Wiley ID 1726568