N2-[(Phenylmethoxy)carbonyl]-L-lysine tert-Butyl Ester - CAS 112157-39-8

Catalog:	BB076539
Product Name:	N2-[(Phenylmethoxy)carbonyl]-L-lysine tert-Butyl Ester
CAS:	112157-39-8
Synonyms:	N2-[(Phenylmethoxy)carbonyl]-L-lysine 1,1-Dimethylethyl Ester

Technical Data

IUPAC Name:	tert-butyl (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoate
Description:	N2-[(Phenylmethoxy)carbonyl]-L-lysine tert-Butyl Ester is a derivative of N2-[(Phenylmethoxy)carbonyl]-L-lysine (P335705). It is a reactant used in the preparation of deoxypyridinoline, a biochemical marker of collagen turnover and in the preparation of a series of halogenated heterodimeric inhibitors of prostate specific membrane antigen (PSMA).
Molecular Weight:	336.43
Molecular Formula:	C18H28N2O4
Canonical SMILES:	CC(C)(C)OC(=O)C(CCCCN)NC(=O)OCC1=CC=CC=C1
InChI:	InChI=1S/C18H28N2O4/c1-18(2,3)24-16(21)15(11-7-8-12-19)20-17(22)23-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13,19H2,1-3H3,(H,20,22)/t15-/m0/s1
InChI Key:	WSJKYVHGUCIGPN-HNNXBMFYSA-N
Solubility:	Dichloromethane, Methanol
Appearance:	Yellow Oil
Storage:	-20°C Freezer, Under inert atmosphere
References:	Maresca, K. et al. J. Med. Chem., 52, 347 (2009); Allevi, P. et al. Chem. Comm., 6, 559 (1999).

Complexity:	387
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	336.20490738
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	336.20490738
Rotatable Bond Count:	11
Topological Polar Surface Area:	90.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5