L-Leucyl-L-phenylalaninamide - CAS 38678-60-3

Catalog:	BB060466
Product Name:	L-Leucyl-L-phenylalaninamide
CAS:	38678-60-3
Synonyms:	16: PN: WO2010004535 PAGE: 32 claimed protein

Technical Data

IUPAC Name:	(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide
Description:	L-Leucyl-L-phenylalaninamide is an intermediate in the synthesis of γ-Secretase Inhibitor, the enzyme complex that catalyzes the cleavage of the amyloid precursor protein (APP) to generate amyloid β-peptide (Aβ), the major causative agent in Alzheimer disease (AD).
Molecular Weight:	277.36
Molecular Formula:	C15H23N3O2
Canonical SMILES:	CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)N
InChI:	InChI=1S/C15H23N3O2/c1-10(2)8-12(16)15(20)18-13(14(17)19)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H2,17,19)(H,18,20)/t12-,13-/m0/s1
InChI Key:	HVNQCDIUFGAINF-STQMWFEESA-N
Solubility:	DCM, Hexane
Appearance:	Yellow Solid
Storage:	Refrigerator
References:	Fearon, K., et al. J. Med. Chem., 30, 1617 (1987).

Complexity:	325
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	277.17902698
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	277.17902698
Rotatable Bond Count:	7
Topological Polar Surface Area:	98.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5