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119660-45-6 | L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2-hydroxy-
CAS No: 119660-45-6 Catalog No: AG000PFS MDL No:MFCD07371956
Product Description
Catalog Number:
AG000PFS
Chemical Name:
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2-hydroxy-
CAS Number:
119660-45-6
Molecular Formula:
C14H19NO5
Molecular Weight:
281.3044
MDL Number:
MFCD07371956
IUPAC Name:
(2S)-3-(2-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-10(12(17)18)8-9-6-4-5-7-11(9)16/h4-7,10,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t10-/m0/s1
InChI Key:
TYSXAMSICCTNAT-JTQLQIEISA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccccc1O
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
281.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
281.308g/mol
Monoisotopic Mass:
281.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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