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823195-95-5 | L-Tyrosine, N-[(2E,4E,6S)-4,6-dimethyl-1-oxo-2,4-dodecadienyl]-
CAS No: 823195-95-5 Catalog No: AG0054NW MDL No:
Product Description
Catalog Number:
AG0054NW
Chemical Name:
L-Tyrosine, N-[(2E,4E,6S)-4,6-dimethyl-1-oxo-2,4-dodecadienyl]-
CAS Number:
823195-95-5
Molecular Formula:
C23H33NO4
Molecular Weight:
387.5124
IUPAC Name:
(2S)-2-[[(6S)-4,6-dimethyldodeca-2,4-dienoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C23H33NO4/c1-4-5-6-7-8-17(2)15-18(3)9-14-22(26)24-21(23(27)28)16-19-10-12-20(25)13-11-19/h9-15,17,21,25H,4-8,16H2,1-3H3,(H,24,26)(H,27,28)/t17-,21-/m0/s1
InChI Key:
TVFBRUKGDMJDMC-UWJYYQICSA-N
SMILES:
CCCCCC[C@@H](/C=C(/C=C/C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)\C)C
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
387.241g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
387.52g/mol
Monoisotopic Mass:
387.241g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6.3
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