AG003CAV

479064-93-2 | (R)-3-((tert-Butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoic acid

AG003CAV

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CAS Number	479064-93-2
Catalog Number	AG003CAV(AGN-PC-0RXD38)
Chemical Name	(R)-3-((tert-Butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoic acid
IUPAC Name	(3R)-3-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChI Key	ZPXVKCUGZBGIBW-LLVKDONJSA-N
MDL Number	MFCD03427960
Molecular Formula	C14H18ClNO4
Molecular Weight	299.7500
SMILES	[C@@H](NC(=O)OC(C)(C)C)(CC(=O)O)c1ccc(cc1)Cl
Synonyms	479064-93-2, (R)-3-((tert-Butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoic acid, (R)-3-tert-Butoxycarbonylamino-3-(4-chlorophenyl)propionic acid, (R)-Boc-4-chloro-beta-Phe-OH, Boc-(R)-3-Amino-3-(4-chlorophenyl)propionic acid, Boc-(R)-3-Amino-3-(4-chloro-phenyl)-propionic acid, (R)-3-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)propanoic acid, (R)-3-(Boc-amino)-3-(4-chlorophenyl)propionic acid, (3R)-3-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)propanoic acid, (R)-3-tert-Butoxycarbonylamino-3-(4-chloro-phenyl)-propionic acid, AK-42273, PubChem13499, BOC-(R)-4-BETA-CHLOROPHENYLALANINE, AC1MC5LG, Boc-R-3-Amino-3-(4-chloro-phenyl)-propionic acid, SCHEMBL390624, Boc-(S)-3-Amino-3-(4-chlorophenyl)-propionic acid, Boc-D-?-Phe(4-Cl)-OH, KS-00000JES, DTXSID50375871, (3R)-3-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, (R)-Boc-4-chloro-|A-Phe-OH, Boc-4-chloro-L-|A-phenylalanine, ACT04969, ZINC2585854, ANW-48078, CB-776, MFCD03427960, AKOS013462129, AB15246, AS06710, AC-22026, ACM479064932, AJ-43615, AN-28008, BBV-38259588, BR-42273, DS-14062, SC-84625, AB0025066, AX8020962, RT-023925, BOC-(R)-4-CHLORO-BETA-PHENYLALANINE, FT-0630191, ST24026419, TL80073807, W6458, S-4430, 064B932, (R)-Boc-4-chloro-beta-Phe-OH, >=98.0% (HPLC), N-BETA-(T-BUTOXYCARBONYL)-4-CHLORO-L-BETA-HOMOPHENYLGLYCINE, R-3-tert-Butoxycarbonylamino-3-(4-chloro-phenyl)-propionic acid, (3R)-3-[(tert-Butoxycarbonyl)amino]-3-(4-chlorophenyl)propanoic acid, (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(4-chlorophenyl)propanoic acid, (3R)-3-[(TERT-BUTOXY)CARBONYLAMINO]-3-(4-CHLOROPHENYL)PROPANOIC ACID, C14H18ClNO4, (R)-Boc-4-chlorophenyl-|A-Phe-OH, ACN-025958, CB11781, CID2761722, (R)-3-tert-Butoxycarbonylamino-3-(4-chlorophenyl)propionicacid, (R)-3-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)propanoicacid, 3-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, 479064-90-9, Benzenepropanoic acid, 4-chloro-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-, (betaR)-,

Complexity	346
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	299.092g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	299.751g/mol
Monoisotopic Mass	299.092g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number