AG0024GL

176199-35-2 | D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-iodo-

AG0024GL

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CAS Number	176199-35-2
Catalog Number	AG0024GL(AGN-PC-0O4ZTX)
Chemical Name	D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-iodo-
IUPAC Name	(2R)-3-(4-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C14H18INO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChI Key	JZLZDBGQWRBTHN-LLVKDONJSA-N
MDL Number	MFCD00079670
Molecular Formula	C14H18INO4
Molecular Weight	391.2015
SMILES	O=C(O)[C@H](NC(OC(C)(C)C)=O)CC1=CC=C(I)C=C1
Synonyms	176199-35-2, Boc-D-Phe(4-I)-OH, Boc-4-iodo-D-phenylalanine, Boc-D-4-Iodophenylalanine, (R)-2-((tert-Butoxycarbonyl)amino)-3-(4-iodophenyl)propanoic acid, Boc-4'-iodo-D-Phe, Boc-p-iodo-D-Phe-OH, MFCD00079670, J-300413, Boc-D-4-Iodophe, (R)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(4-IODOPHENYL)PROPANOIC ACID, (2R)-3-(4-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, n-boc-4-iodo-l-phenylalanine, C14H18INO4, AK-61066, Boc-4-iodo-D-Phe, AC1ODU6G, Boc-D-4-Iodo phenylalanine, SCHEMBL3901262, CTK7I3093, KS-00000AIU, ACT09133, KS-00000H7W, ZINC2568077, ZX-AT014638, (2R)-2-[(tert-butoxycarbonyl)amino]-3-(4-iodophenyl)propanoic acid, 9233AA, ANW-74347, CB-416, AKOS015836434, AC-9064, AM83378, CS-W011727, OR14611, RTR-008023, AJ-41549, DS-16487, AX8015524, DB-022710, TL8004042, FT-0643706, K-5415, Boc-D-Phe(4-I)-OH, >=98.0% (TLC), 199B352, C-24050, D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-iodo-, (2R)-2-(tert-butoxycarbonylamino)-3-(4-iodophenyl)propanoic acid, (2R)-2-(tert-butoxycarbonylamino)-3-(4-iodophenyl)propionic acid, (2R)-3-(4-iodophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, Boc-Phe(4-I)-OH, Boc-L-4-Iodophenylalanine, Boc-D-Phe(4-I) -OH, ACN-034050, CID7020906, (R)-2-((tert-Butoxycarbonyl)amino)-3-(4-iodophenyl)propanoicacid, 3-(4-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, 62129-44-6, 15492-49-6,

Complexity	346
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	391.028g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	391.205g/mol
Monoisotopic Mass	391.028g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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