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825637-88-5 | L-Tyrosine, N-(1-oxohexadecenyl)-
CAS No: 825637-88-5 Catalog No: AG0053LZ MDL No:
Product Description
Catalog Number:
AG0053LZ
Chemical Name:
L-Tyrosine, N-(1-oxohexadecenyl)-
CAS Number:
825637-88-5
Molecular Formula:
C25H39NO4
Molecular Weight:
417.5815
IUPAC Name:
(2S)-2-(hexadec-2-enoylamino)-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C25H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(28)26-23(25(29)30)20-21-16-18-22(27)19-17-21/h14-19,23,27H,2-13,20H2,1H3,(H,26,28)(H,29,30)/t23-/m0/s1
InChI Key:
DJASRICCRRAOEZ-QHCPKHFHSA-N
SMILES:
CCCCCCCCCCCCCC=CC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
417.288g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
417.59g/mol
Monoisotopic Mass:
417.288g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8
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