AG003CBA

331763-70-3 | (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-fluorophenyl)butanoic acid

AG003CBA

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CAS Number	331763-70-3
Catalog Number	AG003CBA(AGN-PC-0R8OZV)
Chemical Name	(R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-fluorophenyl)butanoic acid
IUPAC Name	(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-fluorophenyl)butanoic acid
InChI	InChI=1S/C25H22FNO4/c26-17-11-9-16(10-12-17)13-18(14-24(28)29)27-25(30)31-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,18,23H,13-15H2,(H,27,30)(H,28,29)/t18-/m1/s1
InChI Key	LTBGWPINKRNSDL-GOSISDBHSA-N
MDL Number	MFCD01860915
Molecular Formula	C25H22FNO4
Molecular Weight	419.4449
SMILES	O=C(O)C[C@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC=C(F)C=C4
Synonyms	331763-70-3, Fmoc-4-fluoro-D-beta-homophenylalanine, (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-fluorophenyl)butanoic acid, Fmoc-(R)-3-amino-4-(4-fluorophenyl)-butyric acid, (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-fluorophenyl)butanoic Acid, Fmoc-(S)-3-amino-4-(4-fluorophenyl)butanoic acid, Fmoc-D-?-Homophe(4-F)-OH, SCHEMBL16397970, CTK8F0643, DTXSID50426579, ZINC2385807, Fmoc-4-fluoro-D-b-homophenylalanine, (R)-Fmoc-4-fluoro-beta-Homophe-OH, CF-417, MFCD01860915, AKOS026670187, ACM331763703, AK188262, AS-48776, RT-012897, CS-0062050, FT-0679890, A-8430, (R)-3-(Fmoc-amino)-4-(4-fluoro-phenyl)butanoic acid, (R)-Fmoc-4-fluoro-beta-Homophe-OH, >=98.0% (HPLC), (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-fluorophenyl)butyric acid, (3R)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-(4-fluorophenyl)butanoic acid, (3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid, CB11864, CID7009734, -FMOC-4-FLUORO-BETA-HOMOPHE-OH, Fmoc-(R)-3-amino-4-(4-fluoro-phenyl)-butyric acid, Benzenebutanoic acid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-fluoro-, (betaR)-, 270062-83-4, 331763-78-1,

Complexity	599
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	419.153g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	419.452g/mol
Monoisotopic Mass	419.153g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

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