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128781-80-6 | L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-3,5-diiodo-, methyl ester
CAS No: 128781-80-6 Catalog No: AG000YDM MDL No:MFCD00237523
Product Description
Catalog Number:
AG000YDM
Chemical Name:
L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-3,5-diiodo-, methyl ester
CAS Number:
128781-80-6
Molecular Formula:
C15H19I2NO5
Molecular Weight:
547.1240
MDL Number:
MFCD00237523
IUPAC Name:
methyl (2S)-3-(4-hydroxy-3,5-diiodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C15H19I2NO5/c1-15(2,3)23-14(21)18-11(13(20)22-4)7-8-5-9(16)12(19)10(17)6-8/h5-6,11,19H,7H2,1-4H3,(H,18,21)/t11-/m0/s1
InChI Key:
LYSAEUWOAILRMR-NSHDSACASA-N
SMILES:
COC(=O)[C@H](Cc1cc(I)c(c(c1)I)O)NC(=O)OC(C)(C)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
546.935g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
547.128g/mol
Monoisotopic Mass:
546.935g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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