AG00BCVT

269396-71-6 | Boc-(r)-3-amino-4-(4-iodo-phenyl)-butyric acid

AG00BCVT

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CAS Number	269396-71-6
Catalog Number	AG00BCVT(AGN-PC-0O8H00)
Chemical Name	Boc-(r)-3-amino-4-(4-iodo-phenyl)-butyric acid
IUPAC Name	(3R)-4-(4-iodophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI	InChI=1S/C15H20INO4/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	QEKSTALXWONXOD-GFCCVEGCSA-N
MDL Number	MFCD01860963
Molecular Formula	C15H20INO4
Molecular Weight	405.2281
SMILES	O=C(O)C[C@H](NC(OC(C)(C)C)=O)CC1=CC=C(I)C=C1
Synonyms	269396-71-6, Boc-(R)-3-amino-4-(4-iodo-phenyl)-butyric acid, (R)-3-((tert-butoxycarbonyl)amino)-4-(4-iodophenyl)butanoic acid, Boc-(R)-3-Amino-4-(4-iodophenyl)butyric acid, Boc-(R)-3-amino-4-(4-iodophenyl)-butyric acid, Boc-4-iodo-D-beta-homophenylalanine, Boc-D-?-Homophe(4-I)-OH, (3R)-4-(4-iodophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid, ZINC2385881, 8844AD, CB-809, MFCD01860963, AKOS025401563, RTR-012131, AC-22219, ACM269396716, AK188127, CC-24871, PS-12278, TR-012131, FT-0644196, K-6902, C-21805, (3R)-3-(tert-butoxycarbonylamino)-4-(4-iodophenyl)butanoic acid, (3R)-3-(tert-butoxycarbonylamino)-4-(4-iodophenyl)butyric acid, (3R)-3-[(tert-butoxycarbonyl)amino]-4-(4-iodophenyl)butanoic acid, (R)-3-(tert-butoxycarbonylamino)-4-(4-iodophenyl)butanoic acid, (3R)-4-(4-iodophenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid, C15H20INO4, CID7009804, BOC- -3-AMINO-4- -BUTYRICACID, Boc-(R)-3-Amino-4-(4-iodophenyl)butanoic acid, (3S)-4-(4-iodophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid, Benzenebutanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-4-iodo-, (betaR)-,

Complexity	359
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	405.044g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	405.232g/mol
Monoisotopic Mass	405.044g/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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