AG002RTT

261360-76-3 | D-Phenylalanine, 2-bromo-N-[(1,1-dimethylethoxy)carbonyl]-

AG002RTT

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CAS Number	261360-76-3
Catalog Number	AG002RTT(AGN-PC-0O8DH1)
Chemical Name	D-Phenylalanine, 2-bromo-N-[(1,1-dimethylethoxy)carbonyl]-
IUPAC Name	(2R)-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-/m1/s1
InChI Key	XDJSTMCSOXSTGZ-LLVKDONJSA-N
MDL Number	MFCD01317703
Molecular Formula	C14H18BrNO4
Molecular Weight	344.2010
SMILES	O=C(O)[C@@H](CC1=CC=CC=C1Br)NC(OC(C)(C)C)=O
Synonyms	261360-76-3, Boc-2-bromo-D-phenylalanine, Boc-D-2-Bromophenylalanine, (R)-N-Boc-2-Bromophenylalanine, Boc-D-phe(2-Br)-OH, Boc-D-2-Bromophe, (R)-3-(2-Bromophenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid, N-Boc-2-bromo-D-phenylalanine, MFCD01317703, D-Phenylalanine, 2-bromo-N-[(1,1-dimethylethoxy)carbonyl]-, BOC-PHE(2-BR)-OH, Boc-L-phe(2-Br)-OH, AK-81113, BOC-D-2-BR-PHE-OH, Boc-D-2-Bromo phenylalanine, SCHEMBL3560345, CTK8C5110, KS-00000ABA, ZINC2244126, ZX-AT014498, (2R)-3-(2-bromophenyl)-2-[(tert-butoxycarbonyl)amino]propanoic acid, ANW-74146, CB-742, N-BOC-D-2-BROMOPHENYLALANINE, AKOS015836526, AB08560, AC-9632, AM82703, OR14553, AJ-34428, BC210859, CC-25005, DS-16127, SC-10507, AB0048298, AX8015503, TL8006338, TR-011824, FT-0644144, ST24035424, Z-3431, 360B763, C-20440, J-016260, N-ALPHA-T-BUTOXYCARBONYL-D-(2-BROMOPHENYL)ALANINE, (2R)-3-(2-bromophenyl)-2-(tert-butoxycarbonylamino)propanoic acid, (2R)-3-(2-bromophenyl)-2-(tert-butoxycarbonylamino)propionic acid, (R)-3-(2-BROMOPHENYL)-2-(TERT-BUTOXYCARBONYLAMINO)PROPANOIC ACID, (2R)-3-(2-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, (2R)-3-(2-bromophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, 261365-02-0, Boc-2-bromo-L-phenylalanine, CID7006627, 261165-02-0, (2S)-3-(2-bromophenyl)-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	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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