Home Carbonyls L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 5-(1,1-dimethylethyl)1-(4-nitrophenyl) ester

L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 5-(1,1-dimethylethyl)1-(4-nitrophenyl) ester

CAS No.:
69876-58-0
Catalog Number:
AG00IBZO
Molecular Formula:
C20H28N2O8
Molecular Weight:
424.4449
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Product Description
Catalog Number:
AG00IBZO
Chemical Name:
L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 5-(1,1-dimethylethyl)1-(4-nitrophenyl) ester
CAS Number:
69876-58-0
Molecular Formula:
C20H28N2O8
Molecular Weight:
424.4449
MDL Number:
MFCD00038516
IUPAC Name:
5-O-tert-butyl 1-O-(4-nitrophenyl) (2S)-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-/m0/s1
InChI Key:
XGSZKZYRDFXIHX-HNNXBMFYSA-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  
Properties