AG002RQ7

261165-06-4 | (3S)-3-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}propanoic acid

AG002RQ7

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CAS Number	261165-06-4
Catalog Number	AG002RQ7(AGN-PC-0R2208)
Chemical Name	(3S)-3-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}propanoic acid
IUPAC Name	(3S)-3-(4-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)9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChI Key	ZAMLGGRVTAXBHI-NSHDSACASA-N
MDL Number	MFCD03419292
Molecular Formula	C14H18BrNO4
Molecular Weight	344.2010
SMILES	O=C(O)C[C@@H](C1=CC=C(Br)C=C1)NC(OC(C)(C)C)=O
Synonyms	261165-06-4, (S)-3-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoic acid, Boc-(S)-3-Amino-3-(4-bromo-phenyl)-propionic acid, (S)-3-(BOC-AMINO)-3-(4-BROMOPHENYL)-PROPANOIC ACID, (S)-Boc-4-bromo-beta-Phe-OH, (S)-3-(Boc-amino)-3-(4-bromophenyl)propionic acid, (3S)-3-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, Boc-4-bromo-D-|A-phenylalanine, AK-39919, PubChem17339, Boc-?-Phe(4-Br)-OH, Boc-(R)-3-Amino-3-(4-bromophenyl)-propionic acid, AC1MC199, SCHEMBL3504563, (S)-Boc-4-bromo-|A-Phe-OH, DTXSID20370333, ZAMLGGRVTAXBHI-NSHDSACASA-N, ACT09419, KS-00000J7E, ZINC2389430, 2237AB, ANW-61479, CB-775, MFCD03419292, AKOS013461739, BOC-D-PHG(4-BR)-(C*CH2)OH, CS-W009826, Benzenepropanoic acid, 4-bromo-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-, (betaS)-, AC-22019, ACM261165064, AJ-35590, BBV-38259576, BC004229, DS-13128, (S)-BOC-4-BROMO-BETA-PHENYLALANINE, AB0048295, AX8019772, TC-150224, TR-011811, FT-0655280, ST50307425, TL80073829, X-2646, 165B064, (S)-Boc-4-bromo-beta-Phe-OH, >=98.0% (HPLC), (S)-3-(4-bromo-phenyl)-3-tert-butoxycarbonylamino-propionic acid, (3S)-3-(4-Bromophenyl)-3-[(tert-butoxycarbonyl)amino]propanoic acid, (3S)-3-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}propanoic acid, (3S)-3-[(tert-butoxy)carbonylamino]-3-(4-bromophenyl)propanoic acid, Boc-4-bromo-D-beta-phenylalanine, C14H18BrNO4, ACN-025967, CB11783, CID2734491, Boc-(S)-3-amino-3-(4-bromophenyl)propionic acid, Boc-S-3-Amino-3-(4-bromo-phenyl)-propionic acid, (S)-3-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoicacid, 261380-20-5, 3-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid,

Complexity	346
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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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