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Home > Nitro Compounds > 2592-19-0
2592-19-0 | L-Lysine, N2,N6-bis[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester
CAS No: 2592-19-0 Catalog No: AG002R26 MDL No:MFCD00076961
Product Description
Catalog Number:
AG002R26
Chemical Name:
L-Lysine, N2,N6-bis[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester
CAS Number:
2592-19-0
Molecular Formula:
C22H33N3O8
Molecular Weight:
467.5127
MDL Number:
MFCD00076961
IUPAC Name:
(4-nitrophenyl) (2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
InChI:
InChI=1S/C22H33N3O8/c1-21(2,3)32-19(27)23-14-8-7-9-17(24-20(28)33-22(4,5)6)18(26)31-16-12-10-15(11-13-16)25(29)30/h10-13,17H,7-9,14H2,1-6H3,(H,23,27)(H,24,28)/t17-/m0/s1
InChI Key:
LYUXBTAUKJETMS-KRWDZBQOSA-N
SMILES:
O=C([C@@H](NC(=O)OC(C)(C)C)CCCCNC(=O)OC(C)(C)C)Oc1ccc(cc1)[N+](=O)[O-]
EC Number:
219-988-1
Properties
Complexity:
671
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
467.227g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
467.519g/mol
Monoisotopic Mass:
467.227g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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