AG003QMN

238742-88-6 | Fmoc-D-(4-trifluoromethylphenyl)alanine

AG003QMN

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CAS Number	238742-88-6
Catalog Number	AG003QMN(AGN-PC-0QZWZR)
Chemical Name	Fmoc-D-(4-trifluoromethylphenyl)alanine
IUPAC Name	(2R)-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-/m1/s1
InChI Key	YMEGJWTUWMVZPD-JOCHJYFZSA-N
MDL Number	MFCD00050418
Molecular Formula	C25H20F3NO4
Molecular Weight	455.4258
SMILES	C(OC(=O)N[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)O)C1c2c(c3c1cccc3)cccc2
Synonyms	238742-88-6, Fmoc-D-Phe(4-CF3)-OH, FMOC-D-4-Trifluoromethylphe, Fmoc-4-(trifluoromethyl)-D-phenylalanine, Fmoc-4-Trifluoromethyl-D-Phenylalanine, Fmoc-D-4-Trifluoromethylphenylalanine, MFCD00797582, (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(trifluoromethyl)phenyl]propanoic acid, Fmoc-L-phe(4-CF3)-OH, AC1MCRUC, Fmoc-DPhe(pCF3)-OH, SCHEMBL2304915, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-(trifluoromethyl)-D-phenylalanine, N-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-4-(trifluoromethyl)-L-phenylalanine, CTK8C5619, (2S)-2-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-3-[4-(trifluoromethyl)phenyl]propanoic acid, ZINC2569519, CF-651, PC4013, AKOS015837372, AKOS015895489, AB07189, AC-9983, AM83504, CS-W013839, RTR-011056, AK188038, AN-29364, P979, PS-12026, SC-10945, DB-038287, TL8006319, TR-011056, Fmoc-D-Phe(4-CF3)-OH, >=98.0%, FT-0656172, 42T886, C-34940, I06-1190, J-015253, 4-(TRIFLUOROMETHYL)-D-PHENYLALANINE, N-FMOC PROTECTED, (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(trifluoromethyl)phenyl]propionic acid, (2R)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-[4-(trifluoromethyl)phenyl]propanoic acid, (2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-[4-(trifluoromethyl)phenyl]propanoic acid, (R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid, (R)-2-(((9H-FLUOREN-9-YL)METHOXY)CARBONYLAMINO)-3-(4-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID, C25H20F3NO4, 4-(Trifluoromethyl)-D-phenylalanine, Fmoc-4-(trifluoromethyl)-L-phenylalanine, CID2777608, 247113-86-6, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(trifluoromethyl)phenyl]propanoic acid, 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(trifluoromethyl)phenyl]propanoic Acid,

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

Certificate of Analysis

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