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13724-85-1 | L-Tyrosine, 3,5-dibromo-O-[4-hydroxy-3-(1-methylethyl)phenyl]-
CAS No: 13724-85-1 Catalog No: AG001303 MDL No:
Product Description
Catalog Number:
AG001303
Chemical Name:
L-Tyrosine, 3,5-dibromo-O-[4-hydroxy-3-(1-methylethyl)phenyl]-
CAS Number:
13724-85-1
Molecular Formula:
C18H19Br2NO4
Molecular Weight:
473.1558
IUPAC Name:
(2S)-2-amino-3-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]propanoic acid
InChI:
InChI=1S/C18H19Br2NO4/c1-9(2)12-8-11(3-4-16(12)22)25-17-13(19)5-10(6-14(17)20)7-15(21)18(23)24/h3-6,8-9,15,22H,7,21H2,1-2H3,(H,23,24)/t15-/m0/s1
InChI Key:
QHTXRRJVXYEVLD-HNNXBMFYSA-N
SMILES:
OC(=O)[C@H](Cc1cc(Br)c(c(c1)Br)Oc1ccc(c(c1)C(C)C)O)N
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
472.966g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
473.161g/mol
Monoisotopic Mass:
470.968g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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