AG0034JM

82317-83-7 | BOC-4-(trifluoromethyl)-D-phenylalanine

AG0034JM

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CAS Number	82317-83-7
Catalog Number	AG0034JM(AGN-PC-0OIO8P)
Chemical Name	BOC-4-(trifluoromethyl)-D-phenylalanine
IUPAC Name	(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic acid
InChI	InChI=1S/C15H18F3NO4/c1-14(2,3)23-13(22)19-11(12(20)21)8-9-4-6-10(7-5-9)15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)/t11-/m1/s1
InChI Key	SMVCCWNHCHCWAZ-LLVKDONJSA-N
MDL Number	MFCD00797557
Molecular Formula	C15H18F3NO4
Molecular Weight	333.3029
SMILES	C(=O)(OC(C)(C)C)N[C@H](CC1=CC=C(C=C1)C(F)(F)F)C(=O)O
Synonyms	82317-83-7, Boc-4-(trifluoromethyl)-D-phenylalanine, BOC-D-4-TRIFLUOROMETHYLPHE, Boc-D-Phe(4-CF3)-OH, Boc-4-Trifluoromethyl-D-Phenylalanine, (R)-2-((tert-Butoxycarbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid, Boc-D-4-Trifluoromethylphenylalanine, (2R)-2-[(tert-butoxycarbonyl)amino]-3-[4-(trifluoromethyl)phenyl]propanoic acid, (2R)-2-(tert-butoxycarbonylamino)-3-[4-(trifluoromethyl)phenyl]propanoic acid, D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-(trifluoromethyl)-, (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic acid, (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-[4-(trifluoromethyl)phenyl]propanoic acid, (R)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(4-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID, MFCD00797557, boc-d-phe(p-cf3)-oh, AC1MC51U, SCHEMBL3556235, CTK8C5719, SMVCCWNHCHCWAZ-LLVKDONJSA-N, ZINC2569504, ZX-AP005729, KM2113, MFCD00792407, PC1204, SBB064602, AKOS015890209, AB07177, AC-9981, AM83502, CB-1285, GS-6171, KS-0000268R, BOC-D-PHE(4-TRIFLUOROMETHYL)-OH, AK163654, AN-33272, CC-24932, Q002, SC-10943, AX8022738, TL8005446, TR-025745, FT-0616930, 17T837, Boc-D-Phe(4-CF3)-OH, >=98.0% (TLC), C-35273, I01-5216, tert-Butoxycarbonyl-D-4-trifluoromethylphenylalanine, N-(t-butoxycarbonyl)-4-(trifluoromethyl)-d-phenylalanine, 4-(TRIFLUOROMETHYL)-D-PHENYLALANINE, BOC PROTECTED, N-(tert-butoxycarbonyl)-4-(trifluoromethyl)-D-phenylalanine, n-alpha-t-butoxycarbonyl-d-(4-trifluoromethylphenyl)alanine, 4-(TRIFLUOROMETHYL)-L-PHENYLALANINE, N-BOC PROTECTED, N-[(1,1-dimethylethoxy)carbonyl]-4-(trifluoromethyl)-D-phenylalanine, (2R)-2-(tert-butoxycarbonylamino)-3-[4-(trifluoromethyl)phenyl]propionic acid, (2R)-2-[(tert-butoxy)carbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic aci d, (R)-2-(tert-butoxycarbonylamino)-3-(4-(trifluoromethyl)phenyl) propanoic acid, (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[4-(trifluoromethyl)phenyl]propanoic acid, C15H18F3NO4, Boc-4-(trifluoromethyl)-L-phenylalanine, CID2736198, BOC-D-3,4,5-TRIFLUOROPHENYLALANINE, N-BOC-4-(Trifluoromethyl)-L-phenylalanine, 114873-07-3, 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic Acid, 205445-55-2,

Complexity	423
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	333.119g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	333.307g/mol
Monoisotopic Mass	333.119g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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