benzyl (tert-Butoxycarbonyl)-L-leucyl-L-phenylalaninate is a phenylalanine analogue.

Physicochemical Properties

Molecular Formula	C27H36N2O5
Molecular Weight	468.59
Exact Mass	468.262
CAS #	70637-26-2
PubChem CID	15138263
Appearance	White to light yellow solid powder
LogP	5.178
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	13
Heavy Atom Count	34
Complexity	646
Defined Atom Stereocenter Count	2
SMILES	CC(C[C@H](NC(OC(C)(C)C)=O)C(N[C@H](C(OCC1=CC=CC=C1)=O)CC2=CC=CC=C2)=O)C
InChi Key	IKZFNIAMQFYRSM-GOTSBHOMSA-N
InChi Code	InChI=1S/C27H36N2O5/c1-19(2)16-22(29-26(32)34-27(3,4)5)24(30)28-23(17-20-12-8-6-9-13-20)25(31)33-18-21-14-10-7-11-15-21/h6-15,19,22-23H,16-18H2,1-5H3,(H,28,30)(H,29,32)/t22-,23-/m0/s1
Chemical Name	benzyl (2S)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylpropanoate
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	Commercial ergot supplements have been made from amino acids and their derivatives. They affect the release of anabolic hormones, the availability of fuel for activity, the ability to think clearly under pressure, and the prevention of muscular damage brought on by exertion. They are regarded as advantageous synergistic food ingredients [1].
References	[1]. Effects of amino acid derivatives on physical, mental, and physiological activities. Crit Rev Food Sci Nutr. 2015;55(13):1793-863.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (213.41 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.34 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.1341 mL	10.6703 mL	21.3406 mL
	5 mM	0.4268 mL	2.1341 mL	4.2681 mL
	10 mM	0.2134 mL	1.0670 mL	2.1341 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.