AG00BCWW

270596-52-6 | Fmoc-(S)-3-Amino-4-(3-fluoro-phenyl)-butyric acid

AG00BCWW

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CAS Number	270596-52-6
Catalog Number	AG00BCWW(AGN-PC-0R2Y1V)
Chemical Name	Fmoc-(S)-3-Amino-4-(3-fluoro-phenyl)-butyric acid
IUPAC Name	(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(3-fluorophenyl)butanoic acid
InChI	InChI=1S/C25H22FNO4/c26-17-7-5-6-16(12-17)13-18(14-24(28)29)27-25(30)31-15-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-12,18,23H,13-15H2,(H,27,30)(H,28,29)/t18-/m0/s1
InChI Key	ZZCLRFMQVCVNGD-SFHVURJKSA-N
MDL Number	MFCD02094568
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=CC(F)=C4
Synonyms	270596-52-6, Fmoc-(S)-3-Amino-4-(3-fluoro-phenyl)-butyric acid, (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-fluorophenyl)butanoic acid, Fmoc-(S)-3-Amino-4-(3-fluorophenyl)butyric acid, Fmoc-(S)-3-amino-4-(3-fluorophenyl)-butyric acid, Fmoc-3-fluoro-L-beta-homophenylalanine, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(3-fluorophenyl)butanoic acid, Fmoc-(S)-3-amino-4-(3-fluorophenyl)butanoic acid, Fmoc-?-Homophe(3-F)-OH, Fmoc-(R)-3-amino-4-(3-fluoro-phenyl)-butyric acid, AC1MC59Y, ZINC2389798, CF-430, MFCD02094568, AKOS015948891, AC-22205, AC-25451, ACM270596526, AJ-35621, CC-28568, PS-12098, AX8001733, RT-012878, CS-0062058, FT-0644328, 596F526, C-22050, Fmoc-(S)-3-amino-4-(3-fluoro-phenyl)-butyric acid, AldrichCPR, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(3-fluorophenyl)butyric acid, (3S)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-(3-fluorophenyl)butanoic acid, (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(3-fluorophenyl)butanoic acid, (S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(3-fluorophenyl)butanoic acid, CID2761580, FMOC- -3-AMINO-4- -BUTYRICACID, Fmoc-S-3-amino-4-(3-fluorophenyl)butyric acid, (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(3-fluorophenyl)butanoic Acid,

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

Lot Number