AG00385V

218608-93-6 | Boc-(r)-3-amino-4-(2-chloro-phenyl)-butyric acid

AG00385V

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CAS Number	218608-93-6
Catalog Number	AG00385V(AGN-PC-0QYDWO)
Chemical Name	Boc-(r)-3-amino-4-(2-chloro-phenyl)-butyric acid
IUPAC Name	(3R)-4-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI	InChI=1S/C15H20ClNO4/c1-15(2,3)21-14(20)17-11(9-13(18)19)8-10-6-4-5-7-12(10)16/h4-7,11H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t11-/m1/s1
InChI Key	UBRPCCFLMVZEKN-LLVKDONJSA-N
MDL Number	MFCD01076274
Molecular Formula	C15H20ClNO4
Molecular Weight	313.7766
SMILES	C(C)(C)(C)OC(=O)N[C@@H](CC(=O)O)CC1=C(C=CC=C1)Cl
Synonyms	218608-93-6, (R)-N-Boc-3-Amino-4-(2-chlorophenyl)butanoic acid, Boc-(R)-3-Amino-4-(2-chloro-phenyl)-butyric acid, Boc-(R)-3-Amino-4-(2-chlorophenyl)butyric acid, Boc-(R)-3-amino-4-(2-chlorophenyl)butanoic acid, Boc-(R)-3-amino-4-(2-chlorophenyl)-butyric acid, (R)-3-((tert-butoxycarbonyl)amino)-4-(2-chlorophenyl)butanoic acid, (3R)-4-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid, AC1ODVMD, Boc-D-?-Homophe(2-Cl)-OH, ZINC2572721, ANW-74711, CB-800, MFCD01076274, Boc-2-chloro-D-beta-homophenylalanine, AM84773, RTR-010244, VC30171, AC-22153, ACM218608936, AJ-42082, AK-34137, AS-48768, CC-24852, AX8016056, TR-010244, FT-0080290, FT-0643999, (R)-2-Chloro-b-(Boc-amino)benzenebutanoic acid, 608B845, 608B936, C-19375, (3R)-3-(tert-butoxycarbonylamino)-4-(2-chlorophenyl)butanoic acid, (3R)-3-(tert-butoxycarbonylamino)-4-(2-chlorophenyl)butyric acid, (R)-3-(tert-butoxycarbonylamino)-4-(2-chlorophenyl)butanoic acid, (3R)-3-[(tert-butoxycarbonyl)amino]-4-(2-chlorophenyl)butanoic acid, (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(2-chlorophenyl)butanoic acid, (3R)-4-(2-chlorophenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid, CID7021564, Boc-(S)-3-Amino-5-phenyl-pentanoic acid, (R)-N-Boc-3-Amino-4-(2-chlorophenyl)butanoicacid, (3S)-4-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid, 218608-84-5,

Complexity	367
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	313.108g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	313.778g/mol
Monoisotopic Mass	313.108g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

Lot Number