AG003CK5

34702-60-8 | (S)-2-((tert-Butoxycarbonyl)amino)-3-(perfluorophenyl)propanoic acid

AG003CK5

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CAS Number	34702-60-8
Catalog Number	AG003CK5(AGN-PC-0WAL21)
Chemical Name	(S)-2-((tert-Butoxycarbonyl)amino)-3-(perfluorophenyl)propanoic acid
IUPAC Name	(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid
InChI	InChI=1S/C14H14F5NO4/c1-14(2,3)24-13(23)20-6(12(21)22)4-5-7(15)9(17)11(19)10(18)8(5)16/h6H,4H2,1-3H3,(H,20,23)(H,21,22)/t6-/m0/s1
InChI Key	UZDKQMIDSLETST-LURJTMIESA-N
MDL Number	MFCD00151893
Molecular Formula	C14H14F5NO4
Molecular Weight	355.2573
SMILES	O=C(O)[C@@H](NC(OC(C)(C)C)=O)CC1=C(F)C(F)=C(F)C(F)=C1F
Synonyms	34702-60-8, Boc-L-Pentafluorophenylalanine, (S)-2-((tert-Butoxycarbonyl)amino)-3-(perfluorophenyl)propanoic acid, BOC-L-PENTAFLUOROPHE, BOC-PENTAFLUORO-PHE-OH, (2S)-2-(tert-butoxycarbonylamino)-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]propanoic acid, (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid, d-pentafluorophenylalanine, n-boc protected, Boc-Phe(5F)-OH, CTK8F0558, ZINC2517129, ZX-AP000428, CB-770, MFCD00151893, PC9113, AKOS015908004, AB04022, AC-5837, BL136-1, FS-5128, VA50082, VA50146, AK163682, AN-10557, SC-10906, BOC-3-(PENTAFLUOROPHENYL)-L-ALANINE, Boc-L-2,3,4,5,6-Pentafluorophenylalanine, TL8006473, TR-014352, FT-0627989, FT-0629909, Boc-D-2,3,4,5,6-Penta fluorophenylalanine, Boc-L-2,3,4,5,6-Penta fluorophenylalanine, K-7895, 702B608, A822353, C-20748, BOC-1,2,3,4,5-PENTAFLUORO-L-PHENYLALANINE, Boc-pentafluoro-L-phenylalanine, >=97.0% (HPLC), J-019720, N-ALPHA-T-BUTYLOXYCARBONYL-L-PENTAFLUOROPHENYLALANINE, N-tert-butoxycarbonyl-2,3,4,5,6-pentafluoro-L-phenylalanine, N-(tert-Butyloxycarbonyl)-2,3,4,5,6-pentafluoro-L-phenylalanine, (S)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(PERFLUOROPHENYL)PROPANOIC ACID, (2S)-2-(tert-butoxycarbonylamino)-3-(2,3,4,5,6-pentafluorophenyl)propionic acid, Boc-Pentafluoro-L-Phenylalanine, Boc-D-Pentafluorophenylalanine, CID7015817, 136207-26-6, (2r)-2-[(tert-butoxycarbonyl)amino]-3-(pentafluorophenyl)propanoic acid, (2S)-2-[(tert-butoxycarbonyl)amino]-3-(pentafluorophenyl)propanoic acid, 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,3,4,5,6-pentafluorophenyl)propanoic Acid,

Complexity	457
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	355.084g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	355.261g/mol
Monoisotopic Mass	355.084g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number