AG00172Y

1223105-51-8 | L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2,6-difluoro-α-methyl-

AG00172Y

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CAS Number	1223105-51-8
Catalog Number	AG00172Y(AGN-PC-0WCX7L)
Chemical Name	L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2,6-difluoro-α-methyl-
IUPAC Name	(2S)-3-(2,6-difluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
InChI	InChI=1S/C25H21F2NO4/c1-25(23(29)30,13-19-21(26)11-6-12-22(19)27)28-24(31)32-14-20-17-9-4-2-7-15(17)16-8-3-5-10-18(16)20/h2-12,20H,13-14H2,1H3,(H,28,31)(H,29,30)/t25-/m0/s1
InChI Key	MRIVYBRWULFPFJ-VWLOTQADSA-N
MDL Number	MFCD22989428
Molecular Formula	C25H21F2NO4
Molecular Weight	437.4353
SMILES	O=C(O)[C@@](CC1=C(F)C=CC=C1F)(C)NC(OCC3C2=C(C4=C3C=CC=C4)C=CC=C2)=O
Synonyms	1223105-51-8, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2,6-difluorophenyl)-2-methylpropanoic acid, Fmoc-alpha-Me-Phe(2,6-DiF)-OH, MFCD22989428, AKOS025290693, ZINC142391093, AK170298, (S)-N-Fmoc-alpha-Methyl-2,6-difluorophenylalanine, L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2,6-difluoro-alpha-methyl-, Fmoc-alpha-Me-L-Phe(2,6-F2)-OH, ACN-043330, Fmoc-alpha-Me-Phe(2,6-DiF)-OH, 97% - 1G 1g,

Complexity	659
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	437.144g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	437.443g/mol
Monoisotopic Mass	437.144g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

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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