AG000FDW

114873-05-1 | L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2-methyl-

AG000FDW

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CAS Number	114873-05-1
Catalog Number	AG000FDW(AGN-PC-0NYKS9)
Chemical Name	L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2-methyl-
IUPAC Name	(2S)-3-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C15H21NO4/c1-10-7-5-6-8-11(10)9-12(13(17)18)16-14(19)20-15(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChI Key	PCGOCPOJLMLJAR-LBPRGKRZSA-N
MDL Number	MFCD00671390
Molecular Formula	C15H21NO4
Molecular Weight	279.3315
SMILES	O=C(O)[C@@H](NC(OC(C)(C)C)=O)CC1=CC=CC=C1C
Synonyms	114873-05-1, Boc-Phe(2-Me)-OH, Boc-L-2-Methylphenylalanine, Boc-2-methyl-L-phenylalanine, (S)-2-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid, BOC-L-2-Methylphe, Boc-2-Methy-L-Phenylalanine, (2S)-3-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, J-300417, (S)-2-(tert-butoxycarbonylamino)-3-o-tolylpropanoic acid, (2S)-2-(tert-butoxycarbonylamino)-3-(o-tolyl)propanoic acid, (2S)-3-(2-methylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, BOC-L-2-ME-PHE-OH, (2S)-2-(tert-butoxycarbonylamino)-3-(o-tolyl)propionic acid, AK-82298, AC1MC50P, Boc-L-2-methyl-4-fluorophe, SCHEMBL873556, CTK8C5092, DTXSID80375788, PCGOCPOJLMLJAR-LBPRGKRZSA-N, BOC-2'-METHYLPHENYLALANINE, KS-00000HT2, ZINC2567261, ZX-AT014539, (2S)-2-[(tert-butoxycarbonyl)amino]-3-(2-methylphenyl)propanoic acid, ANW-74097, CB-744, MFCD00671390, AKOS015836635, AB06730, AC-9918, AM83412, BL056-1, CS-W000802, OR14564, RTR-002708, AJ-41377, AN-36459, AS-14664, M071, M093, SC-10853, AB0015039, AX8016104, TL8006690, FT-0600667, Boc-Phe(2-Me)-OH, >=98.0% (TLC), 73M051, M-1393, N-(tert-butoxycarbonyl)-2-methyl-L-phenylalanine, A803260, C-17574, L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2-methyl-, Boc-D-2-Methylphenylalanine, Boc-2-methyl-D-phenylalanine, C15H21NO4, ACN-034056, CID2761468, (S)-2-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoicacid, 80102-29-0, 3-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, 139558-50-2,

Complexity	348
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	279.147g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	279.336g/mol
Monoisotopic Mass	279.147g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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