AG00BYZ9

331763-63-4 | Fmoc-(R)-3-Amino-4-(2-fluoro-phenyl)-butyric acid

AG00BYZ9

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CAS Number	331763-63-4
Catalog Number	AG00BYZ9(AGN-PC-0R8OWF)
Chemical Name	Fmoc-(R)-3-Amino-4-(2-fluoro-phenyl)-butyric acid
IUPAC Name	(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2-fluorophenyl)butanoic acid
InChI	InChI=1S/C25H22FNO4/c26-23-12-6-1-7-16(23)13-17(14-24(28)29)27-25(30)31-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h1-12,17,22H,13-15H2,(H,27,30)(H,28,29)/t17-/m1/s1
InChI Key	QGZZXPYYCHIOHR-QGZVFWFLSA-N
MDL Number	MFCD01860911
Molecular Formula	C25H22FNO4
Molecular Weight	419.4449
SMILES	O=C(O)C[C@H](NC(OCC1C2=CC=CC=C2C3=CC=CC=C13)=O)CC4=CC=CC=C4F
Synonyms	331763-63-4, (R)-3-(Fmoc-amino)-4-(2-fluorophenyl)butanoic acid, Fmoc-(R)-3-amino-4-(2-fluoro-phenyl)-butyric acid, Fmoc-2-fluoro-D-beta-homophenylalanine, Fmoc-D-?-Homophe(2-F)-OH, Fmoc-(S)-3-amino-4-(2-fluorophenyl)butanoic acid, ZINC2385801, CF-415, MFCD01860911, (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2-fluorophenyl)butanoic Acid, ACM331763634, AJ-35189, AK115404, PS-12095, SC-92697, AX8042387, RT-012858, CS-0062199, FT-0774181, Fmoc-(R)-3-amino-4-(2-fluorophenyl)-butyric acid, AldrichCPR, (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2-fluorophenyl)butyric acid, (3R)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-(2-fluorophenyl)butanoic acid, (3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(2-fluorophenyl)butanoic acid, (R)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(2-fluorophenyl)butanoic acid, (R)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(2-fluorophenyl)butanoic acid, CID7009728, FMOC- -3-AMINO-4- -BUTYRICACID, Fmoc-(R)-3-amino-4-(2-fluorophenyl)-butyric acid, (R)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-, Benzenebutanoic acid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-fluoro-, (betaR)-, 270596-49-1,

Complexity	607
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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