AG001ZBK

173963-93-4 | L-Phenylalanine, 4-cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-

AG001ZBK

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CAS Number	173963-93-4
Catalog Number	AG001ZBK(AGN-PC-0O4X1Y)
Chemical Name	L-Phenylalanine, 4-cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
IUPAC Name	(2S)-3-(4-cyanophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI	InChI=1S/C25H20N2O4/c26-14-17-11-9-16(10-12-17)13-23(24(28)29)27-25(30)31-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22-23H,13,15H2,(H,27,30)(H,28,29)/t23-/m0/s1
InChI Key	JOPKKUTWCGYCDA-QHCPKHFHSA-N
MDL Number	MFCD00672559
Molecular Formula	C25H20N2O4
Molecular Weight	412.4373
SMILES	O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC=C(C#N)C=C4
Synonyms	173963-93-4, Fmoc-Phe(4-CN)-OH, Fmoc-L-4-Cyanophenylalanine, fmoc-dl-4-cyanophenylalanine, Fmoc-L-4-Cyanophe, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-cyanophenyl)propanoic acid, MFCD00672559, Fmoc-D-4-Cyanophenylalanine, Fmoc-4-cyano-L-phenylalanine, L-Phenylalanine, 4-cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, (2S)-3-(4-cyanophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid, (2S)-3-(4-cyanophenyl)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid, AK-63197, Fmoc-L-4-CN-Phe-OH, fmoc-p-cyano-l-phenylalanine, SCHEMBL178773, CTK8B3676, KS-00000IJG, DTXSID10426257, ZINC622062, ANW-42931, CF-363, SBB062800, AKOS005137956, AKOS015889883, AC-9895, AM82778, CS-W008527, FL242-1, RTR-007715, AJ-23768, CC-28752, DS-15201, M477, M499, AX8001709, TL8006227, TR-007715, FT-0643662, ST24026518, Fmoc-Phe(4-CN)-OH, >=98.0% (HPLC), 963F934, A811587, C-21928, J-010954, 4-Cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine, N-(9H-Fluorene-9-ylmethoxycarbonyl)-4-cyano-L-phenylalanine, (2S)-3-(4-cyanophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid, (2S)-3-(4-cyanophenyl)-2-[(fluoren-9-ylmethoxy)carbonylamino]propanoic acid, (2S)-3-(4-cyanophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid, (s)-2-(((9h-fluoren-9-yl)methoxy)carbonylamino)-3-(4-cyanophenyl)propanoic acid, C25H20N2O4, CID6957993, 4-Cyano-N-Fmoc-L-phenylalanine, 98% - 1G 1g, 205526-34-7, 265321-37-7, 3-(4-cyanophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic Acid,

Complexity	671
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	412.142g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	412.445g/mol
Monoisotopic Mass	412.142g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	99.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number