AG003CAT

269726-77-4 | Boc-(r)-3-amino-4-(4-trifluoromethyl-phenyl)-butyric acid

AG003CAT

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CAS Number	269726-77-4
Catalog Number	AG003CAT(AGN-PC-0O8GYL)
Chemical Name	Boc-(r)-3-amino-4-(4-trifluoromethyl-phenyl)-butyric acid
IUPAC Name	(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethyl)phenyl]butanoic acid
InChI	InChI=1S/C16H20F3NO4/c1-15(2,3)24-14(23)20-12(9-13(21)22)8-10-4-6-11(7-5-10)16(17,18)19/h4-7,12H,8-9H2,1-3H3,(H,20,23)(H,21,22)/t12-/m1/s1
InChI Key	UKFKHDUXBBWVHB-GFCCVEGCSA-N
MDL Number	MFCD01860972
Molecular Formula	C16H20F3NO4
Molecular Weight	347.3295
SMILES	O=C(O)C[C@H](NC(OC(C)(C)C)=O)CC1=CC=C(C(F)(F)F)C=C1
Synonyms	269726-77-4, Boc-(R)-3-Amino-4-(4-trifluoromethyl-phenyl)-butyric acid, (R)-3-((tert-butoxycarbonyl)amino)-4-(4-(trifluoromethyl)phenyl)butanoic acid, Boc-(R)-3-Amino-4-(4-trifluoromethylphenyl)butanoic acid, (R)-Boc-4-(trifluoromethyl)-beta-Homophe-OH, Boc-4-trifluoromethyl-D-beta-homophenylalanine, (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethyl)phenyl]butanoic Acid, Boc-D-?-HoPhe(4-CF3)-OH, ZINC2385890, MFCD01860972, AKOS026674298, CB-1309, RTR-012159, AC-22261, ACM269726774, AK188137, CC-24875, PS-12296, SC-47955, Boc-4-trifluoromethyl-D-b-homophenylalanine, TR-012159, FT-0644230, C-20532, (R)-Boc-4-(trifluoromethyl)-beta-Homophe-OH, >=98.0% (HPLC), (3R)-3-(tert-butoxycarbonylamino)-4-[4-(trifluoromethyl)phenyl]butanoic acid, (3R)-3-(tert-butoxycarbonylamino)-4-[4-(trifluoromethyl)phenyl]butyric acid, (3R)-3-[(tert-butoxycarbonyl)amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid, (R)-3-(tert-butoxycarbonylamino)-4-(4-(trifluoromethyl)phenyl)butanoic acid, (3R)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid, CB11851, CID7009819, BOC- -3-AMINO-4- -BUTYRICACID, Boc-(R)-3-amino-4-(4-trifluoromethylphenyl)-butyric acid, Benzenebutanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(trifluoromethyl)-, (betaR)-, Benzenebutanoic acid, ss-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(trifluoromethyl)-, (ssR)-,

Complexity	438
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	347.134g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	347.334g/mol
Monoisotopic Mass	347.134g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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