AG00BCWV

269398-94-9 | Fmoc-(R)-3-Amino-4-(pentafluoro-phenyl)-butyric acid

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CAS Number	269398-94-9
Catalog Number	AG00BCWV(AGN-PC-0O8GVB)
Chemical Name	Fmoc-(R)-3-Amino-4-(pentafluoro-phenyl)-butyric acid
IUPAC Name	(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2,3,4,5,6-pentafluorophenyl)butanoic acid
InChI	InChI=1S/C25H18F5NO4/c26-20-17(21(27)23(29)24(30)22(20)28)9-12(10-19(32)33)31-25(34)35-11-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-8,12,18H,9-11H2,(H,31,34)(H,32,33)/t12-/m1/s1
InChI Key	HCBMYXPXBOUBBR-GFCCVEGCSA-N
MDL Number	MFCD01860941
Molecular Formula	C25H18F5NO4
Molecular Weight	491.4067
SMILES	O=C(O)C[C@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=C(F)C(F)=C(F)C(F)=C4F
Synonyms	269398-94-9, Fmoc-(R)-3-amino-4-pentafluoro-phenylbutyric acid, Fmoc-pentafluoro-D-beta-homophenylalanine, Fmoc-(R)-3-amino-4-pentafluorophenylbutanoic acid, FMOC-(R)-3-AMINO-4-PENTAFLUOROPHENYLBUTYRICACID, (R)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(perfluorophenyl)butanoic acid, C25H18F5NO4, (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2,3,4,5,6-pentafluorophenyl)butanoic acid, ZINC2385847, 8849AD, MFCD01860941, Fmoc-pentafluoro-D-b-homophenylalanine, ACM269398949, AS-48814, RT-013030, FT-0644215, A-7983, C-22873, Fmoc-(R)-3-Amino-4-(pentafluorophenyl)-butyric acid, (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2,3,4,5,6-pentafluorophenyl)butyric acid, (3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(pentafluorophenyl)butanoic acid, (R)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(perfluorophenyl)butanoic acid, (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]butanoic acid, (3R)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-(2,3,4,5,6-pentafluorophenyl)butanoic acid, CID7009773, Fmoc-(R)-3-Amino-4-(pentafluoro-phenyl)-butyric acid, FMOC- -3-AMINO-4- -BUTYRICACID, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2,3,4,5,6-pentafluorophenyl)butanoic Acid,

Complexity	721
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	491.116g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	491.414g/mol
Monoisotopic Mass	491.116g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.1

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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