53755-02-5
N-[3',4'-DIHYDROXY-(E)-CINNAMOYL]-3-HYDROXY-L-TYROSINE
NameN-[3',4'-DIHYDROXY-(E)-CINNAMOYL]-3-HYDROXY-L-TYROSINE
1Identification
【Name】
N-[3',4'-DIHYDROXY-(E)-CINNAMOYL]-3-HYDROXY-L-TYROSINE
【CAS】
【MDL】
MFCD18252514
【English Synonyms】
【Formula】
C18 H17 N O7
【MolWeight】
359.332
【Inchi】
InChI=1S/C18H17NO7/c20-13-4-1-10(8-15(13)22)3-6-17(24)19-12(18(25)26)7-11-2-5-14(21)16(23)9-11/h1-6,8-9,12,20-23H,7H2,(H,19,24)(H,25,26)/b6-3+/t12-/m0/s1
【InChIKey】
InChIKey=GPZFXSWMDFBRGS-UXONFWTHSA-N
【SMILES】
c1cc(c(cc1C[C@@H](C(=O)O)NC(=O)/C=C/c2ccc(c(c2)O)O)O)O
【MOL File】
N-[3',4'-DIHYDROXY-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:6
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[3',4'-DIHYDROXY-(E)-CINNAMOYL]-3-HYDROXY-L-TYROSINE.cml