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Home > Fluorides > 1219039-66-3
1219039-66-3 | L-Tyrosine, N-[3-(2-fluorophenyl)-1-oxo-2-propen-1-yl]-O-methyl-
CAS No: 1219039-66-3 Catalog No: AG0016DK MDL No:MFCD22419421
Product Description
Catalog Number:
AG0016DK
Chemical Name:
L-Tyrosine, N-[3-(2-fluorophenyl)-1-oxo-2-propen-1-yl]-O-methyl-
CAS Number:
1219039-66-3
Molecular Formula:
C19H18FNO4
Molecular Weight:
343.3489
MDL Number:
MFCD22419421
IUPAC Name:
(2S)-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-3-(4-methoxyphenyl)propanoic acid
InChI:
InChI=1S/C19H18FNO4/c1-25-15-9-6-13(7-10-15)12-17(19(23)24)21-18(22)11-8-14-4-2-3-5-16(14)20/h2-11,17H,12H2,1H3,(H,21,22)(H,23,24)/b11-8+/t17-/m0/s1
InChI Key:
CPRCTQWYRUCBKH-YRYLYKBFSA-N
SMILES:
COc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)C=Cc1ccccc1F
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
343.122g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
343.354g/mol
Monoisotopic Mass:
343.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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