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86432-32-8 | L-Tyrosine, N-(1-oxo-3-phenyl-2-propenyl)-
CAS No: 86432-32-8 Catalog No: AG004XAM MDL No:
Product Description
Catalog Number:
AG004XAM
Chemical Name:
L-Tyrosine, N-(1-oxo-3-phenyl-2-propenyl)-
CAS Number:
86432-32-8
Molecular Formula:
C18H17NO4
Molecular Weight:
311.3319
IUPAC Name:
(2S)-3-(4-hydroxyphenyl)-2-(3-phenylprop-2-enoylamino)propanoic acid
InChI:
InChI=1S/C18H17NO4/c20-15-9-6-14(7-10-15)12-16(18(22)23)19-17(21)11-8-13-4-2-1-3-5-13/h1-11,16,20H,12H2,(H,19,21)(H,22,23)/t16-/m0/s1
InChI Key:
RUFMTEXSBMLIEH-INIZCTEOSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccc(cc1)O)C=Cc1ccccc1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
311.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
311.337g/mol
Monoisotopic Mass:
311.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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