AG00BC3R

270063-43-9 | FMOC-(S)-3-AMINO-4-(PENTAFLUORO-PHENYL)-BUTYRIC ACID

AG00BC3R

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CAS Number	270063-43-9
Catalog Number	AG00BC3R(AGN-PC-0O8H57)
Chemical Name	FMOC-(S)-3-AMINO-4-(PENTAFLUORO-PHENYL)-BUTYRIC ACID
IUPAC Name	(3S)-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-/m0/s1
InChI Key	HCBMYXPXBOUBBR-LBPRGKRZSA-N
MDL Number	MFCD01861039
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	270063-43-9, Fmoc-pentafluoro-L-beta-homophenylalanine, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2,3,4,5,6-pentafluorophenyl)butanoic Acid, (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(perfluorophenyl)butanoic acid, Fmoc-(S)-3-amino-4-pentafluorophenylbutanoic acid, AC1MC5DY, ZINC2575628, MFCD01861039, AKOS015948866, ACM270063439, AS-48840, RT-013031, FT-0644267, C-22874, fmoc-(s)-3-amino-4-pentafluorophenylbutyric acid, Fmoc-(S)-3-Amino-4-(pentafluorophenyl)-butyric acid, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2,3,4,5,6-pentafluorophenyl)butyric acid, (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(pentafluorophenyl)butanoic acid, (S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(perfluorophenyl)butanoic acid, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]butanoic acid, (3S)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-(2,3,4,5,6-pentafluorophenyl)butanoic acid, CID2761628, FMOC- -3-AMINO-4- -BUTYRICACID, Fmoc-(S)-3-Amino-4-(pentafluoro-phenyl)-butyric acid, Fmoc-(S)-3-amino-4-pentafluoro-phenylbutyric 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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