AG002BJV

198474-90-7 | L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3,4-difluoro-

AG002BJV

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CAS Number	198474-90-7
Catalog Number	AG002BJV(AGN-PC-0O6TSX)
Chemical Name	L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3,4-difluoro-
IUPAC Name	(2S)-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-/m0/s1
InChI Key	CYAOPVHXASZUDE-NSHDSACASA-N
MDL Number	MFCD00672518
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	198474-90-7, Boc-L-3,4-Difluorophenylalanine, boc-phe(3,4-dif)-oh, Boc-3,4-difluoro-L-phenylalanine, boc-l-3,4-difluorophe, Boc-Phe(3,4-F2)-OH, N-BOC-3,4-DIFLUORO-L-PHENYLALANINE, (2S)-2-[(tert-Butoxycarbonyl)amino]-3-(3,4-difluorophenyl)propionic acid, MFCD00672518, (s)-2-(tert-butoxycarbonylamino)-3-(3,4-difluorophenyl)propanoic acid, (2s)-2-[(tert-butoxycarbonyl)amino]-3-(3,4-difluorophenyl)propanoic acid, (2S)-3-(3,4-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, J-300394, N-(tert-Butoxycarbonyl)-3,4-difluoro-L-phenylalanine, (2S)-2-(tert-butoxycarbonylamino)-3-(3,4-difluorophenyl)propanoic acid, (S)-2-((tert-butoxycarbonyl)amino)-3-(3,4-difluorophenyl)propanoic acid, (2S)-3-(3,4-difluorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, (2S)-3-[3,4-bis(fluoranyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, boc-3,4-difluorophenylalanine, AK-90341, PubChem6120, 3,4-difluoro-l-phenylalanine, n-boc protected, AC1ODU01, Boc-3,4-difluoro-Phe-OH, Boc-Phe(3,4-F)-OH, SCHEMBL1516520, Boc-L-phe(3,4-F2)-OH, CTK8B3885, DTXSID00427298, CYAOPVHXASZUDE-NSHDSACASA-N, CS-M2915, ZINC2567671, ANW-43376, PC4360, SBB063926, AKOS016842519, AB06784, AC-9062, AM82097, AN-7382, BL176-1, CB-1286, RTR-009223, KS-00000H70, AC-22419, AJ-41446, AN-29943, AS-15598, CC-25075, Q006, SC-02176, AB0017338, AX8015462, ST2406725, TR-009223, 3,4-difluoro-l-phenylalanine, boc protected, B3627, FT-0614294, 74D907, M-1273, 3,4-DIFLUORO-L-PHENYLALANINE,BOC PROTECTED, A814000, Boc-Phe(3,4-F2)-OH, >=98.0% (TLC), C-18809, n-alpha-t-butyloxycarbonyl-3,4-difluoro-l-phenylalanine, n-alpha-tert-butyloxycarbonyl-3,4-difluoro-l-phenylalanine, L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3,4-difluoro-, (2S)-2-(tert-butoxycarbonylamino)-3-(3,4-difluorophenyl)propionic acid, (2S)-3-(3,4-difluorophenyl)-2-[(tert-butoxy)carbonylamino]propanoic acid, (s)-2-tert-butoxycarbonylamino-3-(3,4-difluoro-phenyl)-propionic acid, BOC-d-3,4-Difluorophenylalanine, Boc-3,4-difluoro-D-phenylalanine, C14H17F2NO4, ACN-026437, CB11068, CID7020829, 205445-51-8, (r)-2-(tert-butoxycarbonylamino)-3-(3,4-difluorophenyl)propanoic acid, 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-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number