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N-{(2Z)-2-[(4-bromobenzoyl)amino]-3-phenyl-2-propenoyl}-beta-alanine
SpectraBase Compound ID 2GNzX4kTzg8
InChI InChI=1S/C19H17BrN2O4/c20-15-8-6-14(7-9-15)18(25)22-16(12-13-4-2-1-3-5-13)19(26)21-11-10-17(23)24/h1-9,12H,10-11H2,(H,21,26)(H,22,25)(H,23,24)/b16-12-
InChIKey LDMKCCVDAFHYRH-VBKFSLOCSA-N
Mol Weight 417.26 g/mol
Molecular Formula C19H17BrN2O4
Exact Mass 416.03717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HuXixVxT0zh
Name 3-[2-(4-bromo-benzoylamino)-3-phenyl-acryloylamino]-propionic acid
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Formula C19H17BrN2O4
InChI InChI=1S/C19H17BrN2O4/c20-15-8-6-14(7-9-15)18(25)22-16(12-13-4-2-1-3-5-13)19(26)21-11-10-17(23)24/h1-9,12H,10-11H2,(H,21,26)(H,22,25)(H,23,24)/b16-12-
InChIKey LDMKCCVDAFHYRH-VBKFSLOCSA-N
Molecular Weight 417.259 g/mol
SMILES N(C(c1ccc(cc1)Br)=O)\C(C(NCCC(O)=O)=O)=C/c1ccccc1
SPLASH splash10-055r-4902000000-60961d19223355cedcc2
Synonyms 3-[[(Z)-2-[(4-bromobenzoyl)amino]-3-phenyl-acryloyl]amino]propionic acid 3-[[(Z)-2-[(4-bromobenzoyl)amino]-3-phenyl-prop-2-enoyl]amino]propanoic acid 3-[[(Z)-2-[(4-bromophenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]propanoic acid 3-[[(Z)-2-[[(4-bromophenyl)-oxomethyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid
Wiley ID 1446228