AG002A32

205445-53-0 | D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3,5-difluoro-

AG002A32

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CAS Number	205445-53-0
Catalog Number	AG002A32(AGN-PC-0O7I7N)
Chemical Name	D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3,5-difluoro-
IUPAC Name	(2R)-3-(3,5-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)6-8-4-9(15)7-10(16)5-8/h4-5,7,11H,6H2,1-3H3,(H,17,20)(H,18,19)/t11-/m1/s1
InChI Key	CZBNUDVCRKSYDG-LLVKDONJSA-N
MDL Number	MFCD00797556
Molecular Formula	C14H17F2NO4
Molecular Weight	301.2859
SMILES	O=C(O)[C@@H](CC1=CC(F)=CC(F)=C1)NC(OC(C)(C)C)=O
Synonyms	205445-53-0, Boc-3,5-difluoro-D-phenylalanine, BOC-D-3,5-DIFLUOROPHENYLALANINE, BOC-D-3,5-DIFLUOROPHE, (R)-2-((tert-butoxycarbonyl)amino)-3-(3,5-difluorophenyl)propanoic acid, (2R)-3-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, D-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-3,5-difluoro-, (2R)-2-(tert-butoxycarbonylamino)-3-(3,5-difluorophenyl)propanoic acid, MFCD00797555, AK-90340, AC1ODUID, 3,5-DIFLUORO-D-PHENYLALANINE, N-BOC PROTECTED, 3,5-DIFLUORO-L-PHENYLALANINE, N-BOC PROTECTED, SCHEMBL14250214, CTK8B3995, KS-00000KFX, DTXSID70427321, CZBNUDVCRKSYDG-LLVKDONJSA-N, BOC-D-PHE(3,5-DIF)-OH, ZINC2569503, ZX-AP006441, BOC-D-PHE(3,5-F2)-OH, ANW-43618, PC3026, AB07176, AC-9066, AM82106, AN-7387, CB-1289, VC30092, AJ-41727, BBV-77954842, DS-16846, AX8032591, RT-011687, ST2419162, FT-0614607, 445B530, J-013399, N-(tert-butoxycarbonyl)-3,5-difluoro-D-phenylalanine, 3,5-DIFLUORO-D-PHENYL ALANINE, N-BOC PROTECTED, N-[(1,1-dimethylethoxy)carbonyl]-3,5-difluoro-D-phenylalanine, D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3,5-difluoro-, (2R)-2-(tert-butoxycarbonylamino)-3-(3,5-difluorophenyl)propionic acid, (2R)-2-[(tert-butoxycarbonyl)amino]-3-(3,5-difluorophenyl)propanoic acid, (2R)-3-(3,5-difluorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, (2R)-3-[3,5-bis(fluoranyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, (R)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(3,5-DIFLUOROPHENYL)PROPANOIC ACID, Boc-D-3,5-Difluoro-phe-OH, CID7021056, 205445-52-9,

Complexity	374
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-P305+P351+P338
UN Code

Certificate of Analysis

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