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homocysteine, N-[(2Z)-2-(benzoylamino)-3-(4-fluorophenyl)-1-oxo-2-propenyl]-S-methyl-
SpectraBase Compound ID 6Dn69PlG95t
InChI InChI=1S/C21H21FN2O4S/c1-29-12-11-17(21(27)28)23-20(26)18(13-14-7-9-16(22)10-8-14)24-19(25)15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3,(H,23,26)(H,24,25)(H,27,28)/b18-13-
InChIKey QBEMGDFNCGVUTQ-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 KeHxruQDcZz
Name 2-[[(Z)-2-benzamido-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid
Alternate Name(s) 2-[[(Z)-2-benzamido-3-(4-fluorophenyl)acryloyl]amino]-4-(methylthio)butyric acid 2-[[(Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid
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Formula C21H21FN2O4S
InChI InChI=1S/C21H21FN2O4S/c1-29-12-11-17(21(27)28)23-20(26)18(13-14-7-9-16(22)10-8-14)24-19(25)15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3,(H,23,26)(H,24,25)(H,27,28)/b18-13-
InChIKey QBEMGDFNCGVUTQ-AQTBWJFISA-N
Molecular Weight 416.467 g/mol
SMILES N(C(c1ccccc1)=O)\C(C(NC(C(O)=O)CCSC)=O)=C/c1ccc(cc1)F
SPLASH splash10-0a6r-9500000000-30c2d1d4153a5f8aeffd
Wiley ID 1446292