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68856-96-2 | Boc-D-Tyr(Me)-OH
CAS No: 68856-96-2 Catalog No: AG003OI2 MDL No:MFCD00065604
Product Description
Catalog Number:
AG003OI2
Chemical Name:
Boc-D-Tyr(Me)-OH
CAS Number:
68856-96-2
Molecular Formula:
C15H21NO5
Molecular Weight:
295.3309
MDL Number:
MFCD00065604
IUPAC Name:
(2R)-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(17)18)9-10-5-7-11(20-4)8-6-10/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m1/s1
InChI Key:
SLWWWZWJISHVOU-GFCCVEGCSA-N
SMILES:
COc1ccc(cc1)C[C@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
295.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.335g/mol
Monoisotopic Mass:
295.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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