AG002BLN

198560-43-9 | L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,4-difluoro-

AG002BLN

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CAS Number	198560-43-9
Catalog Number	AG002BLN(AGN-PC-0O6U45)
Chemical Name	L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,4-difluoro-
IUPAC Name	(2S)-3-(3,4-difluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI	InChI=1S/C24H19F2NO4/c25-20-10-9-14(11-21(20)26)12-22(23(28)29)27-24(30)31-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,22H,12-13H2,(H,27,30)(H,28,29)/t22-/m0/s1
InChI Key	IHSYIDJNVXPQRM-QFIPXVFZSA-N
MDL Number	MFCD00672550
Molecular Formula	C24H19F2NO4
Molecular Weight	423.4088
SMILES	O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC=C(F)C(F)=C4
Synonyms	198560-43-9, Fmoc-3,4-difluoro-L-phenylalanine, FMOC-PHE(3,4-DIF)-OH, FMOC-L-3,4-DIFLUOROPHE, Fmoc-L-3,4-Difluorophenylalanine, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(3,4-difluorophenyl)propanoic acid, MFCD00672550, Fmoc-Phe(3,4-F2)-OH, FMOC-D-3,4-Difluorophe, J-300396, (2S)-3-(3,4-difluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid, (2S)-3-(3,4-difluorophenyl)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid, (2S)-3-[3,4-bis(fluoranyl)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid, AK163623, SCHEMBL120627, Fmoc-D-Phe(3,4-F2)-OH, CTK3J6550, DTXSID20478262, ZINC622069, ZX-AP006106, CF-654, PC2718, AKOS015912022, AB06817, AC-9907, AM82099, CS-W011642, DS-8282, FL178-1, RTR-036074, VZ36111, KS-00000J26, AN-30085, P981, SC-10681, AX8019173, TR-036074, 3,4-DIFLUORO-N-FMOC-L-PHENYLALANINE, FT-0614293, 60D439, A814012, C-34934, Fmoc-Phe(3,4-F2)-OH, >=98.0% (HPLC), I14-3549, I14-3550, L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,4-difluoro-, (2S)-3-(3,4-difluorophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid, (2S)-3-(3,4-difluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid, (2S)-3-(3,4-difluorophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid, (S)-2-(((9H-FLUOREN-9-YL)METHOXY)CARBONYLAMINO)-3-(3,4-DIFLUOROPHENYL)PROPANOIC ACID, 3,4-difluoro-l-phenylalanine, C24H19F2NO4, FMOC-d-3,4-Difluorophenylalanine, 198545-59-4,

Complexity	625
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	423.128g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	423.416g/mol
Monoisotopic Mass	423.128g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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