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178877-78-6 | L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-(4-hydroxyphenyl)-3,5-diiodo-
CAS No: 178877-78-6 Catalog No: AG0026FW MDL No:MFCD02682264
Product Description
Catalog Number:
AG0026FW
Chemical Name:
L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-(4-hydroxyphenyl)-3,5-diiodo-
CAS Number:
178877-78-6
Molecular Formula:
C20H21I2NO6
Molecular Weight:
625.1928
MDL Number:
MFCD02682264
IUPAC Name:
(2S)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C20H21I2NO6/c1-20(2,3)29-19(27)23-16(18(25)26)10-11-8-14(21)17(15(22)9-11)28-13-6-4-12(24)5-7-13/h4-9,16,24H,10H2,1-3H3,(H,23,27)(H,25,26)/t16-/m0/s1
InChI Key:
GITVZOAWZWYUTL-INIZCTEOSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1cc(I)c(c(c1)I)Oc1ccc(cc1)O
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
624.946g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
625.198g/mol
Monoisotopic Mass:
624.946g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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