124027-56-1
N-[3',4'-DIHYDROXY-(E)-CINNAMOYL]-L-TYROSINE
NameN-[3',4'-DIHYDROXY-(E)-CINNAMOYL]-L-TYROSINE
1Identification
【Name】
N-[3',4'-DIHYDROXY-(E)-CINNAMOYL]-L-TYROSINE
【CAS】
【MDL】
MFCD18252363
【English Synonyms】
【Formula】
C18 H17 N O6
【MolWeight】
343.333
【Inchi】
InChI=1S/C18H17NO6/c20-13-5-1-11(2-6-13)9-14(18(24)25)19-17(23)8-4-12-3-7-15(21)16(22)10-12/h1-8,10,14,20-22H,9H2,(H,19,23)(H,24,25)/b8-4+/t14-/m0/s1
【InChIKey】
InChIKey=JRXLVUMFJASLDR-PXYYCUNGSA-N
【SMILES】
c1cc(ccc1C[C@@H](C(=O)O)NC(=O)/C=C/c2ccc(c(c2)O)O)O
【MOL File】
N-[3',4'-DIHYDROXY-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[3',4'-DIHYDROXY-(E)-CINNAMOYL]-L-TYROSINE.cml