AG007M9U

269726-78-5 | (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-(trifluoromethyl)phenyl)butanoic acid

AG007M9U

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CAS Number	269726-78-5
Catalog Number	AG007M9U(AGN-PC-0O8GYP)
Chemical Name	(R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-(trifluoromethyl)phenyl)butanoic acid
IUPAC Name	(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[4-(trifluoromethyl)phenyl]butanoic acid
InChI	InChI=1S/C26H22F3NO4/c27-26(28,29)17-11-9-16(10-12-17)13-18(14-24(31)32)30-25(33)34-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,18,23H,13-15H2,(H,30,33)(H,31,32)/t18-/m1/s1
InChI Key	LHOASNXTOYNEHC-GOSISDBHSA-N
MDL Number	MFCD01860973
Molecular Formula	C26H22F3NO4
Molecular Weight	469.4524
SMILES	O=C(O)C[C@H](NC(OCC3C2=C(C4=C3C=CC=C4)C=CC=C2)=O)CC1=CC=C(C(F)(F)F)C=C1
Synonyms	269726-78-5, (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-(trifluoromethyl)phenyl)butanoic acid, Fmoc-(R)-3-Amino-4-(4-trifluoromethylphenyl)butanoic acid, Fmoc-4-trifluoromethyl-D-beta-homophenylalanine, Fmoc-D-?-Homophe(4-CF3)-OH, KS-00000IQW, (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[4-(trifluoromethyl)phenyl]butanoic acid, ZINC2385891, CF-672, MFCD01860973, DS-3909, AC-22263, ACM269726785, AJ-35222, CC-28552, AX8001796, RT-012907, CS-0062047, FT-0644231, C-22689, Fmoc-(R)-3-Amino-4-(4-trifluoromethylphenyl)butyric acid, Fmoc-(R)-3-amino-4-(4-trifluoromethylphenyl)-butyric acid, AldrichCPR, (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[4-(trifluoromethyl)phenyl]butyric acid, (R)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(4-(trifluoromethyl)phenyl)butanoic acid, (3R)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid, (3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-[4-(trifluoromethyl)phenyl]butanoic acid, CID7009821, Fmoc-(R)-3-Amino-4-(4-trifluoromethyl-phenyl)-butyric acid, Fmoc-(R)-3-amino-4-(4-trifluoromethylphenyl)-butyric acid, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[4-(trifluoromethyl)phenyl]butanoic Acid, Benzenebutanoic acid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-(trifluoromethyl)-, (betaR)-,

Complexity	685
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	469.15g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	469.46g/mol
Monoisotopic Mass	469.15g/mol
Rotatable Bond Count	8
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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