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Home > Other Building Blocks > 147732-57-8
147732-57-8 | L-Tyrosine, N-[(9Z)-1-oxo-9-octadecen-1-yl]-
CAS No: 147732-57-8 Catalog No: AG001F5P MDL No:
Product Description
Catalog Number:
AG001F5P
Chemical Name:
L-Tyrosine, N-[(9Z)-1-oxo-9-octadecen-1-yl]-
CAS Number:
147732-57-8
Molecular Formula:
C27H43NO4
Molecular Weight:
445.6346
IUPAC Name:
(2S)-3-(4-hydroxyphenyl)-2-[[(Z)-octadec-9-enoyl]amino]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/h9-10,18-21,25,29H,2-8,11-17,22H2,1H3,(H,28,30)(H,31,32)/b10-9-/t25-/m0/s1
InChI Key:
UOIBFJBJAWHQNM-JRUKXMRZSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O
EC Number:
424-330-3
UNII:
131P1BQX1U
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
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:
0
XLogP3:
8.2
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