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2-[2-benzoylamino-3-(2-fluoro-phenyl)-acryloylamino]-4-methylsulfanyl-butyric acid
SpectraBase Compound ID C5VLqboGrVG
InChI InChI=1S/C21H21FN2O4S/c1-29-12-11-17(21(27)28)23-20(26)18(13-15-9-5-6-10-16(15)22)24-19(25)14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3,(H,23,26)(H,24,25)(H,27,28)/b18-13-
InChIKey ONSYMTBMSIZJCU-AQTBWJFISA-N
Mol Weight 416.47 g/mol
Molecular Formula C21H21FN2O4S
Exact Mass 416.120606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K8aF4GNdnJY
Name 2-[2-benzoylamino-3-(2-fluoro-phenyl)-acryloylamino]-4-methylsulfanyl-butyric acid
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Formula C21H21FN2O4S
InChI InChI=1S/C21H21FN2O4S/c1-29-12-11-17(21(27)28)23-20(26)18(13-15-9-5-6-10-16(15)22)24-19(25)14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3,(H,23,26)(H,24,25)(H,27,28)/b18-13-
InChIKey ONSYMTBMSIZJCU-AQTBWJFISA-N
Molecular Weight 416.467 g/mol
SMILES N(C(c1ccccc1)=O)\C(C(NC(C(O)=O)CCSC)=O)=C/c1ccccc1F
SPLASH splash10-0a4i-9810000000-0743ed7dd7e42fc2f704
Synonyms N-[(2Z)-2-(benzoylamino)-3-(2-fluorophenyl)-2-propenoyl](methyl)homocysteine N-[2-(benzoylamino)-3-(2-fluorophenyl)-2-propenoyl](methyl)homocysteine
Wiley ID 1446302