AG00D96D

501015-16-3 | (R)-N-BOC-3-BROMO-BETA-PHENYLALANINE

AG00D96D

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CAS Number	501015-16-3
Catalog Number	AG00D96D(AGN-PC-0S69KK)
Chemical Name	(R)-N-BOC-3-BROMO-BETA-PHENYLALANINE
IUPAC Name	(3R)-3-(3-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)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	UTYRIGRZLZNTLR-LLVKDONJSA-N
MDL Number	MFCD03427962
Molecular Formula	C14H18BrNO4
Molecular Weight	344.2010
SMILES	O=C(O)C[C@H](C1=CC=CC(Br)=C1)NC(OC(C)(C)C)=O
Synonyms	501015-16-3, (R)-N-Boc-3-Bromo-beta-phenylalanine, (R)-3-(3-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoic acid, Boc-(R)-3-Amino-3-(3-bromo-phenyl)-propionic acid, MFCD03427962, Boc-(S)-3-Amino-3-(3-bromophenyl)-propionic acid, Boc-D-?-Phe(3-Br)-OH, Boc-R-3-Amino-3-(3-bromo-phenyl)-propionic acid, AC1MC5LV, Boc-(R)-3-Amino-3-(3-bromophenyl)-propionic acid, CTK4J2140, DTXSID10375872, (3R)-3-(3-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, ACT09777, ZINC2585856, AKOS012536368, AB15251, CB-2924, AC-22015, ACM501015163, AJ-43617, BBV-38222342, AB0006622, AX8047860, RT-015289, TL80073821, A-7795, (R)-3-(BOC-AMINO)-3-(3-BROMOPHENYL)PROPIONIC ACID, 3-(3-Bromo-phenyl)-2-tert-butoxycarbonylamino-propionic acid, Benzenepropanoic acid,3-bromo-b-[[(1,1-dimethylethoxy)carbonyl]amino]-,(bR)-, CID2761727, -N-BOC-3-BROMO-BETA-PHENYLALANINE, Boc-(R)-3-amino-3-(3-bromophenyl)propionic acid, (R)-3-(3-Bromo-phenyl)-3-tert-butoxycarbonylamino-propionic acid, (R)-3-(3-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoicacid, 3-(3-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, 500770-76-3,

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	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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