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N-{4'-[3"-(5"'-(p-Nitrophenyl)-2"'-furyl]-acryloylamino]benzoyl}-methionine
SpectraBase Compound ID 6TkO4URkNau
InChI InChI=1S/C25H23N3O7S/c1-36-15-14-21(25(31)32)27-24(30)17-2-6-18(7-3-17)26-23(29)13-11-20-10-12-22(35-20)16-4-8-19(9-5-16)28(33)34/h2-13,21H,14-15H2,1H3,(H,26,29)(H,27,30)(H,31,32)/b13-11+
InChIKey MRLSILSOQDOPQH-ACCUITESSA-N
Mol Weight 509.53 g/mol
Molecular Formula C25H23N3O7S
Exact Mass 509.125671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3n2oxbmlRP5
Name N-{4'-[3"-(5"'-(p-Nitrophenyl)-2"'-furyl]-acryloylamino]benzoyl}-methionine
Alternate Name(s) Methyl-N-[4-({(2E)-3-[5-(4-nitrophenyl)-2-furyl]-2-propenoyl}amino)benzoyl]homocysteine
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Formula C25H23N3O7S
InChI InChI=1S/C25H23N3O7S/c1-36-15-14-21(25(31)32)27-24(30)17-2-6-18(7-3-17)26-23(29)13-11-20-10-12-22(35-20)16-4-8-19(9-5-16)28(33)34/h2-13,21H,14-15H2,1H3,(H,26,29)(H,27,30)(H,31,32)/b13-11+
InChIKey MRLSILSOQDOPQH-ACCUITESSA-N
Molecular Weight 509.533 g/mol
SMILES N(C(\C=C\c1oc(-c2ccc(N(=O)=O)cc2)cc1)=O)c1ccc(C(NC(C(=O)O)CCSC)=O)cc1
SPLASH splash10-0006-0290000000-cf38d3363c062ca063d9
Source of Spectrum D9-335-141-10
Wiley ID 1550940