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Home > Nitro Compounds > 20866-55-1
20866-55-1 | L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester
CAS No: 20866-55-1 Catalog No: AG002JU3 MDL No:MFCD00076991
Product Description
Catalog Number:
AG002JU3
Chemical Name:
L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester
CAS Number:
20866-55-1
Molecular Formula:
C20H22N2O7
Molecular Weight:
402.3979
MDL Number:
MFCD00076991
IUPAC Name:
(4-nitrophenyl) (2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C20H22N2O7/c1-20(2,3)29-19(25)21-17(12-13-4-8-15(23)9-5-13)18(24)28-16-10-6-14(7-11-16)22(26)27/h4-11,17,23H,12H2,1-3H3,(H,21,25)/t17-/m0/s1
InChI Key:
BNBKZMYOTFMWHX-KRWDZBQOSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)Oc1ccc(cc1)[N+](=O)[O-])Cc1ccc(cc1)O
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
402.143g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
402.403g/mol
Monoisotopic Mass:
402.143g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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