AG002A34

205445-51-8 | D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3,4-difluoro-

AG002A34

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CAS Number	205445-51-8
Catalog Number	AG002A34(AGN-PC-0O7I7H)
Chemical Name	D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3,4-difluoro-
EC Number	606-577-0
IUPAC Name	(2R)-3-(3,4-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C14H17F2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)7-8-4-5-9(15)10(16)6-8/h4-6,11H,7H2,1-3H3,(H,17,20)(H,18,19)/t11-/m1/s1
InChI Key	CYAOPVHXASZUDE-LLVKDONJSA-N
MDL Number	MFCD00672519
Molecular Formula	C14H17F2NO4
Molecular Weight	301.2859
SMILES	O=C(O)[C@@H](CC1=CC=C(F)C(F)=C1)NC(OC(C)(C)C)=O
Synonyms	205445-51-8, BOC-d-3,4-Difluorophenylalanine, Boc-3,4-difluoro-D-phenylalanine, boc-d-phe(3,4-dif)-oh, boc-d-3,4-difluorophe, N-(tert-Butoxycarbonyl)-3,4-difluoro-D-phenylalanine, Boc-D-Phe(3,4-F2)-OH, MFCD00672519, (2R)-3-(3,4-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, J-300395, n-alpha-t-butyloxycarbonyl-d-3,4-difluorophenylalanine, (r)-2-(tert-butoxycarbonylamino)-3-(3,4-difluorophenyl)propanoic acid, (R)-2-((tert-butoxycarbonyl)amino)-3-(3,4-difluorophenyl)propanoic acid, PubChem6124, 3,4-difluoro-l-phenylalanine, n-boc protected, AC1MC51I, Boc-D-Phe(3,4-F)-OH, SCHEMBL2573377, CTK8B1154, DTXSID50371196, CYAOPVHXASZUDE-LLVKDONJSA-N, KS-000015DN, ZINC2567672, ANW-24136, N-Boc-3,4-difluoro-D-phenylalanine, PC3004, (2r)-2-[(tert-butoxycarbonyl)amino]-3-(3,4-difluorophenyl)propanoic acid, AKOS015889850, AB06788, AC-9061, AM82098, CB-1287, RTR-009584, AJ-41447, AK-90339, AS-15595, CC-25010, P999, SC-02320, AB0017332, AX8015461, DB-022706, ST2406715, TR-009584, 3,4-difluoro-d-phenylalanine, boc protected, B3626, FT-0614291, 3,4-difluoro-d-phenylalanine, n-boc protected, 45D518, M-1272, 3,4-DIFLUORO-D-PHENYLALANINE,BOC PROTECTED, C-18808, Boc-D-Phe(3,4-F2)-OH, >=98.0% (TLC), 3,4-DIFLUORO-D-PHENYL ALANINE, N-BOC PROTECTED, n-alpha-tert-butyloxycarbonyl-d-3,4-difluorophenylalanine, D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3,4-difluoro-, (2R)-2-(tert-butoxycarbonylamino)-3-(3,4-difluorophenyl)propanoic acid, (2R)-2-(tert-butoxycarbonylamino)-3-(3,4-difluorophenyl)propionic acid, (r)-2-tert-butoxycarbonylamino-3-(3,4-difluoro-phenyl)-propionic acid, (2R)-3-(3,4-difluorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, (2R)-3-[3,4-bis(fluoranyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, Boc-3,4-difluoro-L-phenylalanine, C14H17F2NO4, ACN-034022, CB11071, CID2736194, 198474-90-7, 3-(3,4-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid,

Complexity	384
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	301.113g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	301.29g/mol
Monoisotopic Mass	301.113g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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