AG002P56

247113-86-6 | L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-(trifluoromethyl)-

AG002P56

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CAS Number	247113-86-6
Catalog Number	AG002P56(AGN-PC-0R0I75)
Chemical Name	L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-(trifluoromethyl)-
IUPAC Name	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(trifluoromethyl)phenyl]propanoic acid
InChI	InChI=1S/C25H20F3NO4/c26-25(27,28)16-11-9-15(10-12-16)13-22(23(30)31)29-24(32)33-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,29,32)(H,30,31)/t22-/m0/s1
InChI Key	YMEGJWTUWMVZPD-QFIPXVFZSA-N
MDL Number	MFCD00797581
Molecular Formula	C25H20F3NO4
Molecular Weight	455.4258
SMILES	O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC=C(C(F)(F)F)C=C4
Synonyms	247113-86-6, Fmoc-Phe(4-CF3)-OH, Fmoc-L-4-Trifluoromethylphenylalanine, Fmoc-4-(trifluoromethyl)-L-phenylalanine, FMOC-L-4-TRIFLUOROMETHYLPHE, Fmoc-4-Trifluoromethyl-L-Phenylalanine, MFCD00797581, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(trifluoromethyl)phenyl]propanoic acid, (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-[4-(trifluoromethyl)phenyl]propanoic acid, (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid, Fmoc-L-phe(4-CF3)-OH, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-(trifluoromethyl)-D-phenylalanine, AK170076, AC1ODUJG, SCHEMBL3724885, N-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-4-(trifluoromethyl)-L-phenylalanine, CTK4F4215, DTXSID10427325, (2S)-2-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-3-[4-(trifluoromethyl)phenyl]propanoic acid, ZINC2569518, ZX-AP000213, CF-650, L-Fmoc-4-trifluoromethylphenylalanine, PC9134, AKOS015837278, AB07188, AC-9984, AM83503, CS-W009648, FL226-1, GS-6057, RTR-011377, VZ36114, VZ36115, AC-16854, P984, SC-10944, TL8006325, FT-0616931, Fmoc-Phe(4-CF3)-OH, >=97% (HPLC), 13T866, A817453, I14-3559, J-015636, 4-(TRIFLUOROMETHYL)-L-PHENYL ALANINE, FMOC PROTECTED, 4-(TRIFLUOROMETHYL)-L-PHENYLALANINE, N-FMOC PROTECTED, L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-(trifluoromethyl)-, L-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-(trifluoromethyl)-, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(trifluoromethyl)phenyl]propionic acid, (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-[4-(trifluoromethyl)phenyl]propanoic acid, (S)-2-(((9H-FLUOREN-9-YL)METHOXY)CARBONYLAMINO)-3-(4-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID, Fmoc-D-Phe(4-CF3)-OH, C25H20F3NO4, CID7021069, Fmoc-4-(trifluoromethyl)-D-phenylalanine, 238742-88-6, 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(trifluoromethyl)phenyl]propanoic Acid, Fmoc-L-4-Trifluoromethylphe; Fmoc-Phe(4-trifluoromethyl)-OH; Fluorenylmethoxycarbonyl-L-4-trifluoromethylphenylalanine,

Complexity	670
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	455.134g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	455.433g/mol
Monoisotopic Mass	455.134g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.5

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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