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825637-90-9 | L-Tyrosine, N-(1-oxooctadecenyl)-
CAS No: 825637-90-9 Catalog No: AG004Y3S MDL No:
Product Description
Catalog Number:
AG004Y3S
Chemical Name:
L-Tyrosine, N-(1-oxooctadecenyl)-
CAS Number:
825637-90-9
Molecular Formula:
C27H43NO4
Molecular Weight:
445.6346
IUPAC Name:
(2S)-3-(4-hydroxyphenyl)-2-(octadec-2-enoylamino)propanoic acid
InChI:
InChI=1S/C27H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)28-25(27(31)32)22-23-18-20-24(29)21-19-23/h16-21,25,29H,2-15,22H2,1H3,(H,28,30)(H,31,32)/t25-/m0/s1
InChI Key:
XFLRWPDRQOEOIG-VWLOTQADSA-N
SMILES:
CCCCCCCCCCCCCCCC=CC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
445.319g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
445.644g/mol
Monoisotopic Mass:
445.319g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
9.1
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