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N-[4-[3-[5-(4-Nitrophenyl)-2-furyl]acryloylamino]benzoyl]methionine methyl ester
SpectraBase Compound ID 1lrSwuNqhWQ
InChI InChI=1S/C26H25N3O7S/c1-35-26(32)22(15-16-37-2)28-25(31)18-3-7-19(8-4-18)27-24(30)14-12-21-11-13-23(36-21)17-5-9-20(10-6-17)29(33)34/h3-14,22H,15-16H2,1-2H3,(H,27,30)(H,28,31)/b14-12+/t22-/m0/s1
InChIKey FEYGNZKDQGZWSL-VKXNWWILSA-N
Mol Weight 523.56 g/mol
Molecular Formula C26H25N3O7S
Exact Mass 523.141321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BuycVsue82i
Name N-[4-[3-[5-(4-Nitrophenyl)-2-furyl]acryloylamino]benzoyl]methionine methyl ester
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Formula C26H25N3O7S
InChI InChI=1S/C26H25N3O7S/c1-35-26(32)22(15-16-37-2)28-25(31)18-3-7-19(8-4-18)27-24(30)14-12-21-11-13-23(36-21)17-5-9-20(10-6-17)29(33)34/h3-14,22H,15-16H2,1-2H3,(H,27,30)(H,28,31)/b14-12+/t22-/m0/s1
InChIKey FEYGNZKDQGZWSL-VKXNWWILSA-N
Molecular Weight 523.560 g/mol
SMILES N([C@](C(=O)OC)(CCSC)[H])C(c1ccc(cc1)NC(\C=C\c1oc(cc1)-c1ccc(cc1)[N+](=O)[O-])=O)=O
SPLASH splash10-022c-0290040000-2dbc3663f8bb65309765
Source of Spectrum APP-335-141-9d
Synonyms (S,E)-methyl 4-(methylthio)-2-(4-(3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)benzamido)butanoate (2S)-4-(methylthio)-2-[[[4-[[(E)-3-[5-(4-nitrophenyl)-2-furanyl]-1-oxoprop-2-enyl]amino]phenyl]-oxomethyl]amino]butanoic acid methyl ester Methyl (2S)-4-methylsulfanyl-2-[[4-[[(E)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoyl]amino]butanoate Methyl (2S)-4-methylsulfanyl-2-[[4-[[(E)-3-[5-(4-nitrophenyl)-2-furyl]prop-2-enoyl]amino]benzoyl]amino]butanoate Methyl (2S)-4-methylsulfanyl-2-[[4-[[(E)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]carbonylamino]butanoate
Wiley ID 1770599