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(E)-N-Benzyol-N-(2-methyl-3-phenylpropenyl)phenylalanine
SpectraBase Compound ID AfmcDYWYQMG
InChI InChI=1S/C26H25NO3/c1-20(17-21-11-5-2-6-12-21)19-27(25(28)23-15-9-4-10-16-23)24(26(29)30)18-22-13-7-3-8-14-22/h2-16,19,24H,17-18H2,1H3,(H,29,30)/b20-19+/t24-/m0/s1
InChIKey KPWMKBOGARVHDB-RLRPEEDVSA-N
Mol Weight 399.49 g/mol
Molecular Formula C26H25NO3
Exact Mass 399.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID As2dOKVASKs
Name (E)-N-Benzyol-N-(2-methyl-3-phenylpropenyl)phenylalanine
Comments Less than 3 mono-isotopic peaks
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Formula C26H25NO3
InChI InChI=1S/C26H25NO3/c1-20(17-21-11-5-2-6-12-21)19-27(25(28)23-15-9-4-10-16-23)24(26(29)30)18-22-13-7-3-8-14-22/h2-16,19,24H,17-18H2,1H3,(H,29,30)/b20-19+/t24-/m0/s1
InChIKey KPWMKBOGARVHDB-RLRPEEDVSA-N
Molecular Weight 399.490 g/mol
SMILES OC([C@@](N(C(=O)c1ccccc1)\C=C\(Cc1ccccc1)C)(Cc1ccccc1)[H])=O
SPLASH splash10-0002-0901000000-b1497b51ebae43eb01cb
Source of Spectrum E2-46-753-1
Synonyms (2S)-2-{benzoyl[(1E)-2-methyl-3-phenyl-1-propenyl]amino}-3-phenylpropanoic acid (E)-N-Benzyl-N-(2-methyl-3-phenylpropenyl)phenylalanine
Wiley ID 1554378