N6,N6-Dimethyl-N2-[(benzyloxy)carbonyl]-L-lysine tert-Butyl Ester N6-Oxide - CAS 204074-51-1

Catalog:	BB067300
Product Name:	N6,N6-Dimethyl-N2-[(benzyloxy)carbonyl]-L-lysine tert-Butyl Ester N6-Oxide
CAS:	204074-51-1
Synonyms:	N6,N6-Dimethyl-N2-[(phenylmethoxy)carbonyl]-L-lysine 1,1-Dimethylethyl Ester N6-Oxide

Technical Data

IUPAC Name:	(5S)-N,N-dimethyl-6-[(2-methylpropan-2-yl)oxy]-6-oxo-5-(phenylmethoxycarbonylamino)hexan-1-amine oxide
Description:	N6,N6-Dimethyl-N2-[(benzyloxy)carbonyl]-L-lysine tert-Butyl Ester N6-Oxide is a reactant used in the preparation of deoxypyridinoline.
Molecular Weight:	380.48
Molecular Formula:	C20H32N2O5
Canonical SMILES:	CC(C)(C)OC(=O)C(CCCC[N+](C)(C)[O-])NC(=O)OCC1=CC=CC=C1
InChI:	InChI=1S/C20H32N2O5/c1-20(2,3)27-18(23)17(13-9-10-14-22(4,5)25)21-19(24)26-15-16-11-7-6-8-12-16/h6-8,11-12,17H,9-10,13-15H2,1-5H3,(H,21,24)/t17-/m0/s1
InChI Key:	KAVBFDNGFOOVNH-KRWDZBQOSA-N
Solubility:	Dichloroemthane, Methanol
Appearance:	Pale Yellow Syrup

Complexity:	468
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	380.23112213
Formal Charge:	0
Heavy Atom Count:	27
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	380.23112213
Rotatable Bond Count:	12
Topological Polar Surface Area:	82.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9