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Home > Nitro Compounds > 26048-69-1
26048-69-1 | L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(4-nitrophenyl) 4-(phenylmethyl) ester
CAS No: 26048-69-1 Catalog No: AG002RIJ MDL No:MFCD00038122
Product Description
Catalog Number:
AG002RIJ
Chemical Name:
L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(4-nitrophenyl) 4-(phenylmethyl) ester
CAS Number:
26048-69-1
Molecular Formula:
C22H24N2O8
Molecular Weight:
444.4346
MDL Number:
MFCD00038122
IUPAC Name:
4-O-benzyl 1-O-(4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
InChI:
InChI=1S/C22H24N2O8/c1-22(2,3)32-21(27)23-18(13-19(25)30-14-15-7-5-4-6-8-15)20(26)31-17-11-9-16(10-12-17)24(28)29/h4-12,18H,13-14H2,1-3H3,(H,23,27)/t18-/m0/s1
InChI Key:
GKRBDGLUYWLXAX-SFHVURJKSA-N
SMILES:
O=C(C[C@@H](C(=O)Oc1ccc(cc1)[N+](=O)[O-])NC(=O)OC(C)(C)C)OCc1ccccc1
Properties
Complexity:
656
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
444.153g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
444.44g/mol
Monoisotopic Mass:
444.153g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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