AG002RQB

261165-02-0 | L-Phenylalanine, 2-bromo-N-[(1,1-dimethylethoxy)carbonyl]-

AG002RQB

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CAS Number	261165-02-0
Catalog Number	AG002RQB(AGN-PC-0O8DPD)
Chemical Name	L-Phenylalanine, 2-bromo-N-[(1,1-dimethylethoxy)carbonyl]-
IUPAC Name	(2S)-3-(2-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)8-9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChI Key	XDJSTMCSOXSTGZ-NSHDSACASA-N
MDL Number	MFCD01317709
Molecular Formula	C14H18BrNO4
Molecular Weight	344.2010
SMILES	O=C(O)[C@H](CC1=CC=CC=C1Br)NC(OC(C)(C)C)=O
Synonyms	261165-02-0, Boc-L-2-Bromophenylalanine, (S)-N-Boc-2-Bromophenylalanine, Boc-2-bromo-L-phenylalanine, BOC-PHE(2-BR)-OH, Boc-D-2-Bromophenylalanine, BOC-L-2-BROMOPHE, (S)-3-(2-Bromophenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid, (2S)-3-(2-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, N-Boc-2-bromo-L-phenylalanine, L-Phenylalanine, 2-bromo-N-[(1,1-dimethylethoxy)carbonyl]-, N-TERT-BUTOXYCARBONYL-L-2-BROMO PHENYLALANINE, (2S)-3-(2-bromophenyl)-2-(tert-butoxycarbonylamino)propanoic acid, AK-81140, PubChem23294, BOC-L-2-BR-PHE-OH, Boc-L-2-Bromo phenylalanine, BOC-L-2-BROMO-PHE-OH, AC1MC180, SCHEMBL3560344, CTK8C5109, KS-00000ABB, DTXSID30370324, ZINC2244129, ZX-AT014497, (2S)-3-(2-bromophenyl)-2-[(tert-butoxycarbonyl)amino]propanoic acid, ANW-74144, CB-741, MFCD01317709, N-BOC-L-2-BROMOPHENYLALANINE, SBB064562, AKOS015836660, AKOS015890059, AB08565, AC-9631, AM82702, BL290-1, OR14552, RTR-011808, AJ-34430, AN-17265, BC004908, CC-25071, DS-16136, M068, M090, SC-10506, AB0015036, AX8015505, DB-001151, TL8006336, TR-011808, A5182, FT-0644143, ST24036088, Boc-Phe(2-Br)-OH, >=98.0% (HPLC), Z-3430, 2-Bromo-N-(tert-butoxycarbonyl)-L-phenylalanine, (S)-N-BOC-2-Bromophenylalanine, 95%, 98% ee, 165B020, C-20439, I01-5135, (S)-FMOC-2-AMINO-3-(2-BROMOPHENYL)PROPIONIC ACID, (S)-3-(2-bromophenyl)-2-(tert-butoxycarbonyl)propanoic acid, (2S)-3-(2-bromophenyl)-2-(tert-butoxycarbonylamino)propionic acid, (2S)-2-[(tert-butoxy)carbonylamino]-3-(2-bromophenyl)propanoic acid, (S)-3-(2-BROMOPHENYL)-2-(TERT-BUTOXYCARBONYLAMINO)PROPANOIC ACID, (2S)-3-(2-bromophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, C14H18BrNO4, -N-BOC-2-Bromophenylalanine, CB11718, CID2734475, n-tert-butoxycarbonyl-2-bromophenyl-l-alanine, 261360-76-3,

Complexity	354
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	3.2

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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