AG0034JF

218608-96-9 | Boc-(r)-3-amino-4-(4-chloro-phenyl)-butyric acid

AG0034JF

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CAS Number	218608-96-9
Catalog Number	AG0034JF(AGN-PC-0QYDWY)
Chemical Name	Boc-(r)-3-amino-4-(4-chloro-phenyl)-butyric acid
IUPAC Name	(3R)-4-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI	InChI=1S/C15H20ClNO4/c1-15(2,3)21-14(20)17-12(9-13(18)19)8-10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChI Key	XHNLLTGZBXJRGH-GFCCVEGCSA-N
MDL Number	MFCD01076276
Molecular Formula	C15H20ClNO4
Molecular Weight	313.7766
SMILES	O=C(O)C[C@H](NC(OC(C)(C)C)=O)CC1=CC=C(Cl)C=C1
Synonyms	218608-96-9, Boc-(R)-3-Amino-4-(4-chlorophenyl)butyric acid, (R)-3-((tert-butoxycarbonyl)amino)-4-(4-chlorophenyl)butanoic acid, BOC-(R)-3-AMINO-4-(4-CHLORO-PHENYL)-BUTYRIC ACID, (R)-Boc-4-chloro-beta-Homophe-OH, Boc-4-chloro-L-beta-homophenylalanine, (3R)-4-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid, Boc-(R)-3-Amino-4-(4-chlorophenyl)butanoic acid, (3R)-3-(tert-butoxycarbonylamino)-4-(4-chlorophenyl)butanoic acid, (3R)-3-[(tert-Butoxycarbonyl)amino]-4-(4-chlorophenyl)butanoic acid, Boc-4-chloro-D-beta-homophenylalanine, AK188086, AC1ODVMM, SCHEMBL740779, Boc-D-?-Homophe(4-Cl)-OH, KS-00000HRW, XHNLLTGZBXJRGH-GFCCVEGCSA-N, ZINC2572723, CB-802, MFCD01076276, AKOS025401557, DS-9871, RTR-010246, AC-22164, ACM218608969, AN-29515, CC-24868, TL8001808, TR-010246, FT-0644001, V1017, K-6198, 608B969, C-19377, (R)-Boc-4-chloro-beta-Homophe-OH, >=98.0% (HPLC), (3R)-3-(tert-butoxycarbonylamino)-4-(4-chlorophenyl)butyric acid, (R)-3-(tert-butoxycarbonylamino)-4-(4-chlorophenyl) butanoic acid, (R)-3-(tert-butoxycarbonylamino)-4-(4-chlorophenyl)butanoic acid, (R)-N-(tert-Butoxycarbonyl)-3-amino-4-(4-chlorophenyl)butyric acid, (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-chlorophenyl)butanoic acid, (3R)-4-(4-chlorophenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid, C15H20ClNO4, CB11852, CID7021567, Boc-(R)-3-amino-4-(4-chlorophenyl)-butyric acid, 270596-42-4,

Complexity	359
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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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