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204692-75-1 | D-Tyrosine, 3,5-dibromo-N-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 204692-75-1 Catalog No: AG0029N4 MDL No:MFCD00798623
Product Description
Catalog Number:
AG0029N4
Chemical Name:
D-Tyrosine, 3,5-dibromo-N-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
204692-75-1
Molecular Formula:
C14H17Br2NO5
Molecular Weight:
439.0965
MDL Number:
MFCD00798623
IUPAC Name:
(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H17Br2NO5/c1-14(2,3)22-13(21)17-10(12(19)20)6-7-4-8(15)11(18)9(16)5-7/h4-5,10,18H,6H2,1-3H3,(H,17,21)(H,19,20)/t10-/m1/s1
InChI Key:
FIKNCGRWSBGBKP-SNVBAGLBSA-N
SMILES:
OC(=O)[C@@H](Cc1cc(Br)c(c(c1)Br)O)NC(=O)OC(C)(C)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
438.945g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
439.1g/mol
Monoisotopic Mass:
436.947g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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