AG000FDR

114873-11-9 | D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-fluoro-

AG000FDR

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CAS Number	114873-11-9
Catalog Number	AG000FDR(AGN-PC-0NYKSO)
Chemical Name	D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-fluoro-
IUPAC Name	(2R)-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-/m1/s1
InChI Key	FPCCREICRYPTTL-LLVKDONJSA-N
MDL Number	MFCD00672523
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	(1-(1-((2,4-dioxoimidazolidin-1-ylimino)methyl)-2-phenylethylcarbamoyl)-2-(1H-indol-3-yl)ethylcarbamoyl)-2-(1H-indole), S 2209, S-2209, S2209 cpd, 114873-11-9, Boc-3-fluoro-D-phenylalanine, (R)-N-Boc-3-Fluorophenylalanine, Boc-D-Phe(3-F)-OH, Boc-3-fluoro-D-Phe, BOC-D-3-Fluorophe, (R)-2-((TERT-BUTOXYCARBONYL)AMINO)-3-(3-FLUOROPHENYL)PROPANOIC ACID, MFCD00672523, D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-fluoro-, (2R)-2-(tert-butoxycarbonylamino)-3-(3-fluorophenyl)propanoic acid, (2R)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, Boc-D-3-Fluorophenylalanine, (2R)-2-[(tert-butoxycarbonyl)amino]-3-(3-fluorophenyl)propanoic acid, AK-41281, AC1ODU0M, Boc-D-3-Fluoro phenylalanine, SCHEMBL1269412, CTK8A9283, KS-00000IOQ, DTXSID10427300, EBD28413, ZINC2567676, ZX-AP008739, ANW-16719, CB-730, PC3049, AKOS015836560, AC-5830, D73B017, RTR-002712, AJ-41451, BR-41281, DS-13824, SC-10775, AB0047218, AX8017628, DB-041236, AM20050366, CS-0011437, FT-0629977, ST24026458, S-2209, Boc-D-Phe(3-F)-OH, >=98.0% (TLC), C-24063, N-alpha-t-Butyloxycarbonyl-D-3-fluorophenylalanine, I01-5115, J-003148, N-(tert-Butoxycarbonyl)-D-3-fluoromethylphenylalanine, (2R)-2-(tert-butoxycarbonylamino)-3-(3-fluorophenyl)propionic acid, (R)-2-(tert-butoxycarbonylamino)-3-(3-fluorophenyl)propanoic acid, (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid, (2R)-3-(3-fluorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, Boc-Phe(3-F)-OH, Boc-L-phe(3-F)-OH, BOC-3-FLUORO-L-PHE, CID7020836, 114873-01-7, (2S)-2-[(tert-butoxycarbonyl)amino]-3-(3-fluorophenyl)propanoic acid, 3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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