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200397-60-0 | D-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 5-(1,1-dimethylethyl) 1-(4-nitrophenyl) ester
CAS No: 200397-60-0 Catalog No: AG002CQH MDL No:MFCD00236846
Product Description
Catalog Number:
AG002CQH
Chemical Name:
D-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 5-(1,1-dimethylethyl) 1-(4-nitrophenyl) ester
CAS Number:
200397-60-0
Molecular Formula:
C20H28N2O8
Molecular Weight:
424.4449
MDL Number:
MFCD00236846
IUPAC Name:
5-O-tert-butyl 1-O-(4-nitrophenyl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
InChI:
InChI=1S/C20H28N2O8/c1-19(2,3)29-16(23)12-11-15(21-18(25)30-20(4,5)6)17(24)28-14-9-7-13(8-10-14)22(26)27/h7-10,15H,11-12H2,1-6H3,(H,21,25)/t15-/m1/s1
InChI Key:
XGSZKZYRDFXIHX-OAHLLOKOSA-N
SMILES:
O=C([C@H](NC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
424.185g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
424.45g/mol
Monoisotopic Mass:
424.185g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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