AG002A61

205526-36-9 | L-Phenylalanine, 3-cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-

AG002A61

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CAS Number	205526-36-9
Catalog Number	AG002A61(AGN-PC-0QVDD9)
Chemical Name	L-Phenylalanine, 3-cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
IUPAC Name	(2S)-3-(3-cyanophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI	InChI=1S/C25H20N2O4/c26-14-17-7-5-6-16(12-17)13-23(24(28)29)27-25(30)31-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,22-23H,13,15H2,(H,27,30)(H,28,29)/t23-/m0/s1
InChI Key	CVLOUTPKZUJTGV-QHCPKHFHSA-N
MDL Number	MFCD00797585
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=CC(C#N)=C4
Synonyms	205526-36-9, Fmoc-L-3-Cyanophenylalanine, Fmoc-3-cyano-L-phenylalanine, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(3-cyanophenyl)propanoic acid, Fmoc-Phe(3-CN)-OH, Fmoc-L-3-Cyanophe, (2S)-3-(3-cyanophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid, (2S)-3-(3-cyanophenyl)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid, AK-87816, Fmoc-L-3-CN-Phe-OH, Fmoc-L-3-cyanophenylalanin, KSC925A8N, SCHEMBL120479, CTK8C5086, DTXSID50426256, CVLOUTPKZUJTGV-QHCPKHFHSA-N, ZINC622058, ANW-74033, CF-361, MFCD00797585, AKOS015837240, AKOS015912006, AC-9891, AM82769, FL238-1, RTR-009602, KS-00000J35, AJ-23767, DS-18385, M473, M494, SC-10580, AX8019285, TL8006275, FT-0658825, 526F369, A814688, I14-3625, I14-3626, J-013412, J-013413, 3-cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine, L-Phenylalanine, 3-cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, (2S)-3-(3-cyanophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid, (2S)-3-(3-cyanophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid, Fmoc-Phe(3-CN)-OH?"InChI=1S/C25H20N2O4/c26-14-17-7-5-6-16(12-17)13-23(24(28)29)27-25(30)31-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12, Fmoc-D-Phe(3-CN)-OH, Fmoc-D-3-Cyanophenylalanine, C25H20N2O4, CID6957990, 3-(3-cyanophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic Acid, 205526-37-0,

Complexity	679
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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