AG002A4V

205526-27-8 | Fmoc-L-(3-trifluoromethylphenyl)alanine

AG002A4V

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CAS Number	205526-27-8
Catalog Number	AG002A4V(AGN-PC-0QVD97)
Chemical Name	Fmoc-L-(3-trifluoromethylphenyl)alanine
IUPAC Name	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid
InChI	InChI=1S/C25H20F3NO4/c26-25(27,28)16-7-5-6-15(12-16)13-22(23(30)31)29-24(32)33-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,29,32)(H,30,31)/t22-/m0/s1
InChI Key	AJMRBDCOLBEYRZ-QFIPXVFZSA-N
MDL Number	MFCD00672555
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=CC(C(F)(F)F)=C4
Synonyms	205526-27-8, Fmoc-L-3-Trifluoromethylphenylalanine, Fmoc-Phe(3-CF3)-OH, FMOC-L-3-Trifluoromethylphe, Fmoc-3-Trifluoromethyl-L-Phenylalanine, Fmoc-D-3-Trifluoromethylphenylalanine, Fmoc-3-(trifluoromethyl)-L-phenylalanine, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid, (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid, (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(3-(trifluoromethyl)phenyl)propanoic acid, AC1ODU24, SCHEMBL120604, Jsp004214, CTK8C5623, ZINC2567691, CF-648, MFCD00672555, PC9136, AKOS015837241, AKOS015912192, AB06828, AC-9980, AM83494, CS-W011568, FL222-1, RTR-009595, Fmoc-L-(3-trifluoromethylphenyl)alanine, AK188036, CC-28750, PS-12024, SC-10935, TL8006270, FT-0613947, 26T278, Fmoc-Phe(3-CF3)-OH, >=98.0% (HPLC), A814681, C-22542, I14-3552, I14-3553, J-013408, 3-(Trifluoromethyl)-L-phenylalanine, N-FMOC protected, L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-(trifluoromethyl)-, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-(trifluoromethyl)phenyl]propionic acid, (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-[3-(trifluoromethyl)phenyl]propanoic acid, (S)-2-(((9H-FLUOREN-9-YL)METHOXY)CARBONYLAMINO)-3-(3-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID, 3-(Trifluoromethyl)-L-phenylalanine, CID7020854, 205526-28-9, 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic Acid,

Complexity	678
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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