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83093-58-7 | L-Tyrosine, N-(2-diazo-3,3,3-trifluoro-1-oxopropyl)-O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-
CAS No: 83093-58-7 Catalog No: AG005BC2 MDL No:
Product Description
Catalog Number:
AG005BC2
Chemical Name:
L-Tyrosine, N-(2-diazo-3,3,3-trifluoro-1-oxopropyl)-O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-
CAS Number:
83093-58-7
Molecular Formula:
C18H11F3I3N3O5
Molecular Weight:
787.0057
IUPAC Name:
(2S)-2-[(2-diazo-3,3,3-trifluoropropanoyl)amino]-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid
InChI:
InChI=1S/C18H11F3I3N3O5/c19-18(20,21)15(27-25)16(29)26-12(17(30)31)5-7-3-10(23)14(11(24)4-7)32-8-1-2-13(28)9(22)6-8/h1-4,6,12,28H,5H2,(H,26,29)(H,30,31)/t12-/m0/s1
InChI Key:
RBAGFKZORAEKTM-LBPRGKRZSA-N
SMILES:
[N-]=[N+]=C(C(F)(F)F)C(=O)N[C@H](C(=O)O)Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O
Properties
Complexity:
741
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
786.778g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
787.011g/mol
Monoisotopic Mass:
786.778g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.6
Literature
| Title | Journal |
|---|---|
| Bisphenol A binds to protein disulfide isomerase and inhibits its enzymatic and hormone-binding activities. | Endocrinology 20060601 |
| Opposite regulation of bilirubin and 4-nitrophenol UDP-glucuronosyltransferase mRNA levels by 3,3',5 triiodo-L-thyronine in rat liver. | FEBS letters 19960129 |
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