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264887-51-6 | L-Tyrosine, L-valyl-O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-
CAS No: 264887-51-6 Catalog No: AG002TFJ MDL No:
Product Description
Catalog Number:
AG002TFJ
Chemical Name:
L-Tyrosine, L-valyl-O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-
CAS Number:
264887-51-6
Molecular Formula:
C20H20I4N2O5
Molecular Weight:
876.0011
IUPAC Name:
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
InChI:
InChI=1S/C20H20I4N2O5/c1-8(2)16(25)19(28)26-15(20(29)30)5-9-3-13(23)18(14(24)4-9)31-10-6-11(21)17(27)12(22)7-10/h3-4,6-8,15-16,27H,5,25H2,1-2H3,(H,26,28)(H,29,30)/t15-,16-/m0/s1
InChI Key:
AHMZGMOTEICANV-HOTGVXAUSA-N
SMILES:
OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)NC(=O)[C@H](C(C)C)N
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
875.755g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
876.007g/mol
Monoisotopic Mass:
875.755g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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