AG0051DC

79561-82-3 | Boc-D-Phe(4-Br)-OH

AG0051DC

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CAS Number	79561-82-3
Catalog Number	AG0051DC(AGN-PC-0OI9AX)
Chemical Name	Boc-D-Phe(4-Br)-OH
IUPAC Name	(2R)-3-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChI Key	ULNOXUAEIPUJMK-LLVKDONJSA-N
MDL Number	MFCD00270359
Molecular Formula	C14H18BrNO4
Molecular Weight	344.2010
SMILES	C([C@@H](NC(=O)OC(C)(C)C)C(=O)O)c1ccc(cc1)Br
Synonyms	79561-82-3, Boc-D-4-Bromophenylalanine, Boc-4-bromo-D-phenylalanine, (R)-3-(4-Bromophenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid, Boc-D-phe(4-Br)-OH, (R)-N-Boc-4-bromophenylalanine, BOC-D-4-BR-PHE-OH, BOC-D-4-BROMOPHE, BOC-P-BROMO-D-PHE-OH, (2R)-3-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, 4-bromo-N-(tert-butoxycarbonyl)-D-phenylalanine, J-300378, Q-101617, N-Boc-4-bromo-D-phenylalanine, D-Phenylalanine, 4-bromo-N-[(1,1-dimethylethoxy)carbonyl]-, (2R)-3-(4-Bromophenyl)-2-(tert-butoxycarbonylamino)propanoic acid, AK-50133, AC1ODSVE, PubChem23288, Boc-D-4-Bromo phenylalanine, KSC495K8N, BOC-4'-BROMO-D-PHE, SCHEMBL763600, CTK3J5586, DTXSID60427239, ULNOXUAEIPUJMK-LLVKDONJSA-N, KS-00000H7M, ZINC2562492, ZX-AT014532, (2R)-3-(4-bromophenyl)-2-[(tert-butoxycarbonyl)amino]propanoic acid, ANW-55931, CB-503, MFCD00270359, AKOS016842794, AB05559, AC-9637, AM82718, CS-W002588, OR14557, RTR-025276, VZ31513, AJ-40766, AS-14658, BC004904, CC-25014, M080, SC-10525, SC-86397, AB0015047, AX8015504, TL8004040, TR-025276, B3945, FT-0641727, ST24035432, C-6281, Boc-D-Phe(4-Br)-OH, >=98.0% (HPLC), N-(tert-Butoxycarbonyl)-4-bromo-D-phenylalanine, 561B823, C-20438, I01-5182, N-ALPHA-T-BUTYLOXYCARBONYL-D-4-BROMOPHENYLALANINE, (R)-3-(4-BROMOPHENYL)-2-(BOC-AMINO)PROPANOIC ACID, BOC-(R)-2-AMINO-3-(4'-BROMOPHENYL)PROPANOIC ACID, (R)-3-(4-Bromophenyl)-2-t-butoxycarbonylaminopropionic Acid, (2R)-3-(4-bromophenyl)-2-(tert-butoxycarbonylamino)propionic acid, (R)-3-(4-Bromophenyl)-2-(tert-butyloxycarbonylamino)propionic acid, (2R)-3-(4-bromophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid, (R)-3-(4-BROMO-PHENYL)-2-TERT-BUTOXYCARBONYLAMINO-PROPIONIC ACID, (R)-3-(4-BROMOPHENYL)-2-(TERT-BUTOXYCARBONYLAMINO)PROPANOIC ACID, (2R)-3-(4-bromophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, Boc-L-4-Bromophenylalanine, C14H18BrNO4, Boc-4-bromo-D-beta-phenylalanine, ACN-033991, CB11715, CID7020327, 261165-06-4,

Complexity	346
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	343.042g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	344.205g/mol
Monoisotopic Mass	343.042g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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

Lot Number