AG003OEW

270062-85-6 | Boc-(s)-3-amino-4-(4-bromo-phenyl)-butyric acid

AG003OEW

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CAS Number	270062-85-6
Catalog Number	AG003OEW(AGN-PC-0R2WED)
Chemical Name	Boc-(s)-3-amino-4-(4-bromo-phenyl)-butyric acid
IUPAC Name	(3S)-4-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI	InChI=1S/C15H20BrNO4/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-/m0/s1
InChI Key	GYXZKHKUVVKDHI-LBPRGKRZSA-N
MDL Number	MFCD01861015
Molecular Formula	C15H20BrNO4
Molecular Weight	358.2276
SMILES	O=C(O)C[C@@H](NC(OC(C)(C)C)=O)CC1=CC=C(Br)C=C1
Synonyms	270062-85-6, (S)-4-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)butanoic acid, Boc-(S)-3-Amino-4-(4-bromo-phenyl)-butyric acid, (3S)-4-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid, Boc-(S)-3-amino-4-(4-bromophenyl)-butyric acid, (3S)-4-(4-bromophenyl)-3-(tert-butoxycarbonylamino)butanoic acid, Boc-4-bromo-L-beta-homophenylalanine, AC1MC5AV, Boc-?-Homophe(4-Br)-OH, SCHEMBL2617247, ZINC2385940, MFCD01861015, AKOS015948779, CS-W009332, RTR-012167, AC-22148, ACM270062856, AJ-35248, AK134902, AN-29280, CC-24898, PS-12250, SC-65977, TR-012167, FT-0644249, K-6915, (S)-4-Bromo-beta-(Boc-amino)benzenebutanoic acid, 062B856, C-20839, (S)-3-(Boc-amino)-4-(4-bromophenyl)butyric acid, (S)-3-(BOC-AMINO)-4-(4-BROMO-PHENYL)-BUTYRIC ACID, (3S)-4-(4-bromophenyl)-3-(tert-butoxycarbonylamino)butyric acid, (3S)-4-(4-bromophenyl)-3-[(tert-butoxycarbonyl)amino]butanoic acid, (S)-3-(tert-Butoxycarbonylamino)-4-(4-bromophenyl)butyric acid, (S)-4-(4-bromophenyl)-3-(tert-butoxycarbonylamino)butanoic acid, (3S)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid, (3S)-4-(4-bromophenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid, Boc-(S)-3-Amino-4-(4-bromophenyl)butyric acid, CB-813, ACN-026211, CID2761591, Boc-(S)-3-Amino-4-(4-bromophenyl)butanoic acid, (R)-4-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)butanoic acid, 331763-75-8,

Complexity	359
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	357.058g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	358.232g/mol
Monoisotopic Mass	357.058g/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