AG0032EY

269396-53-4 | Boc-(r)-3-amino-4-(2,4-dichloro-phenyl)-butyric acid

AG0032EY

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CAS Number	269396-53-4
Catalog Number	AG0032EY(AGN-PC-0O8GZS)
Chemical Name	Boc-(r)-3-amino-4-(2,4-dichloro-phenyl)-butyric acid
IUPAC Name	(3R)-4-(2,4-dichlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI	InChI=1S/C15H19Cl2NO4/c1-15(2,3)22-14(21)18-11(8-13(19)20)6-9-4-5-10(16)7-12(9)17/h4-5,7,11H,6,8H2,1-3H3,(H,18,21)(H,19,20)/t11-/m1/s1
InChI Key	HGGWEUIYPYFHNX-LLVKDONJSA-N
MDL Number	MFCD01860946
Molecular Formula	C15H19Cl2NO4
Molecular Weight	348.2217
SMILES	O=C(O)C[C@H](NC(OC(C)(C)C)=O)CC1=CC=C(Cl)C=C1Cl
Synonyms	269396-53-4, (R)-3-((tert-Butoxycarbonyl)amino)-4-(2,4-dichlorophenyl)butanoic acid, Boc-2,4-dichloro-D-beta-homophenylalanine, (3R)-4-(2,4-dichlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid, AK162595, Boc-D-?-Homophe(2,4-DiCl)-OH, Boc-(R)-3-Amino-4-(2,4-dichlorophenyl)butanoic acid, SCHEMBL2897780, Boc-(R)-3-Amino-4-(2,4-dichloro-phenyl)butyric acid, KS-00000HQA, ZINC2385855, CB-803, MFCD01860946, AKOS024463261, DS-7828, RTR-012126, Boc-2,4-dichloro-L-b-homophenylalanine, AC-22170, ACM269396534, CC-24851, AX8016034, TR-012126, FT-0644181, ST24035408, C-20547, (R)-2,4-Dichloro-b-(Boc-amino)benzenebutanoic acid, Boc-(R)-3-Amino-4-(2,4-dichlorophenyl)-butyric acid, (3R)-3-(tert-butoxycarbonylamino)-4-(2,4-dichlorophenyl)butanoic acid, (3R)-3-(tert-butoxycarbonylamino)-4-(2,4-dichlorophenyl)butyric acid, (3R)-3-[(tert-butoxycarbonyl)amino]-4-(2,4-dichlorophenyl)butanoic acid, (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(2,4-dichlorophenyl)butanoic acid, (R)-3-(tert-butoxycarbonylamino)-4-(2,4-dichlorophenyl)butanoic acid, (3R)-4-(2,4-dichlorophenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid, HGGWEUIYPYFHNX-LLVKDONJSA-N, Boc-(R)-3-Amino-4-(2,4-dichloro-phenyl)-butyric acid, ACN-026123, CID7009781, Benzenebutanoic acid, 2,4-dichloro-|A-[[(1,1-dimethylethoxy)carbonyl]amino]-, (|AR)-, Benzenebutanoic acid, 2,4-dichloro-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-, (betaR)-, 270063-48-4,

Complexity	398
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	347.069g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	348.22g/mol
Monoisotopic Mass	347.069g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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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