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825637-89-6 | L-Tyrosine, N-(1-oxoheptadecenyl)-
CAS No: 825637-89-6 Catalog No: AG0053LY MDL No:
Product Description
Catalog Number:
AG0053LY
Chemical Name:
L-Tyrosine, N-(1-oxoheptadecenyl)-
CAS Number:
825637-89-6
Molecular Formula:
C26H41NO4
Molecular Weight:
431.6080
IUPAC Name:
(2S)-2-(heptadec-2-enoylamino)-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C26H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(29)27-24(26(30)31)21-22-17-19-23(28)20-18-22/h15-20,24,28H,2-14,21H2,1H3,(H,27,29)(H,30,31)/t24-/m0/s1
InChI Key:
OXIQOGSUFDGBCB-DEOSSOPVSA-N
SMILES:
CCCCCCCCCCCCCCC=CC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
431.304g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
431.617g/mol
Monoisotopic Mass:
431.304g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8.5
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