AG000FE0

114873-01-7 | L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-fluoro-

AG000FE0

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CAS Number	114873-01-7
Catalog Number	AG000FE0(AGN-PC-0NYKRY)
Chemical Name	L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-fluoro-
EC Number	601-331-9
IUPAC Name	(2S)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C14H18FNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChI Key	FPCCREICRYPTTL-NSHDSACASA-N
MDL Number	MFCD00672522
Molecular Formula	C14H18FNO4
Molecular Weight	283.2954
SMILES	O=C(O)[C@H](CC1=CC=CC(F)=C1)NC(OC(C)(C)C)=O
Synonyms	114873-01-7, Boc-Phe(3-F)-OH, Boc-L-3-Fluorophenylalanine, Boc-3-fluoro-L-phenylalanine, (2S)-2-{[(Tert-Butoxy)Carbonyl]Amino}-3-(3-Fluorophenyl)Propanoic Acid, (S)-2-((tert-Butoxycarbonyl)amino)-3-(3-fluorophenyl)propanoic acid, MFCD00672522, Boc-L-phe(3-F)-OH, BOC-L-3-FLUOROPHE, BOC-3-FLUORO-L-PHE, L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-fluoro-, (2S)-2-[(tert-butoxycarbonyl)amino]-3-(3-fluorophenyl)propanoic acid, J-300401, (2S)-2-(tert-butoxycarbonylamino)-3-(3-fluorophenyl)propanoic acid, (2S)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, Boc-D-3-Fluorophenylalanine, (2S)-2-[(tert-butoxy)carbonylamino]-3-(3-fluorophenyl)propanoic acid, AK-81144, BOC-3-F-Phe-OH, AC1MC19C, AC1Q1MS2, Boc-L-3-Fluoro phenylalanine, SCHEMBL478595, AMGLY00055, (2R)-2-[(tert-butoxycarbonyl)amino]-3-(3-fluorophenyl)propanoic acid, CTK8B3886, FPCCREICRYPTTL-NSHDSACASA-N, ZINC2567675, ZX-AP001341, ANW-43377, CB-729, PC6045, SBB064547, AKOS015836531, AKOS015890041, AB06795, AC-5829, AM83339, BL013-1, CCG-256523, EBD2138556, MCULE-8431852674, N-BOC-3-FLUORO-L-PHENYLALANINE, PS-7208, RTR-002704, SB17770, KS-0000066Z, AC-16788, AJ-41450, AN-10549, M078, M101, SC-10774, AX8015517, TR-002704, B4367, FT-0629978, ST24035849, ST50307426, Boc-Phe(3-F)-OH, >=98.0% (TLC), N-tert-butoxycarbonyl-L-3-fluorophenylalanine, B-6481, 873B017, C-24062, N-(tert-Butoxycarbonyl)-3-fluoro-L-phenylalanine, I01-5112, J-519905, (S)-2-TERT-BUTOXYCARBONYLAMINO-3-(3-FLUORO-PHENYL), (S)-N-(TERT-BUTOXYCARBONYL)-3-FLUOROPHENYLALANINE, N-ALPHA-T-BUTYLOXYCARBONYL-L-3-FLUOROPHENYLALANINE, N-{[(1,1-dimethylethyl)oxy]carbonyl}-3-fluoro-L-phenylalanine, (2S)-2-(tert-butoxycarbonylamino)-3-(3-fluorophenyl)propionic acid, (S)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(3-FLUOROPHENYL)PROPANOIC ACID, (2S)-3-(3-fluorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, Boc-D-Phe(3-F)-OH, Boc-2-fluoro-D-phenylalanine, C14H18FNO4, ACN-036751, CID2734492, 114873-11-9, 3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, 114873-10-8,

Complexity	354
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	283.122g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	283.299g/mol
Monoisotopic Mass	283.122g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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