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AF-399/41535548 is available in 14 mg

Compound details
Formula:		C20 H33 N O3
Weight:		335.48
Chiral info:		Not available
Name:		methyl 3-methyl-2-{[(3,5,7-trimethyl-1-adamantyl)carbonyl]amino}butanoate
SMILES:		COC(=O)C(NC(=O)C23(CC1(C)(CC(C)(CC(C)(C1)C2)C3)))C(C)C
InChI^TM:		InChI=1S/C20H33NO3/c1-13(2)14(15(22)24-6)21-16(23)20-10-17(3)7-18(4,11-20)9-19(5,8-17)12-20/h13-14H,7-12H2,1-6H3,(H,21,23)
InChIKey^TM:		JATGGEUUVUELOT-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		287 mg/Kg
Chronic LOAEL:		80.5 mg/Kg
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	5.1	H-acceptors: 4
LogS:	-6	H-donors: 1
tPSA:	55.4 Å²	Rotatable bonds: 6

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Disclaimer: Predicted physical and biological properties, such as toxicity, mentioned on this website are indicative only and may not be relied upon in any way. Liability for damages of any kind resulting from reliance on these properties is expressly rejected.