AG002AHU

206060-42-6 | Fmoc-L-3-nitrophenylalanine

AG002AHU

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CAS Number	206060-42-6
Catalog Number	AG002AHU(AGN-PC-0QVSQD)
Chemical Name	Fmoc-L-3-nitrophenylalanine
IUPAC Name	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-nitrophenyl)propanoic acid
InChI	InChI=1S/C24H20N2O6/c27-23(28)22(13-15-6-5-7-16(12-15)26(30)31)25-24(29)32-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,25,29)(H,27,28)/t22-/m0/s1
InChI Key	UDIZJKKIJYRJIN-QFIPXVFZSA-N
MDL Number	MFCD01317718
Molecular Formula	C24H20N2O6
Molecular Weight	432.4254
SMILES	O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC=CC([N+]([O-])=O)=C4
Synonyms	206060-42-6, Fmoc-L-3-Nitrophenylalanine, Fmoc-3-Nitro-L-Phenylalanine, Fmoc-Phe(3-NO2)-OH, Fmoc-L-3-Nitrophe, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(3-nitrophenyl)propanoic acid, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-nitrophenyl)propanoic acid, MFCD01317715, AC1MC5TE, ZINC2244134, ZX-AT014592, MFCD01317718, Fmoc - L - 3 - Nitrophenylalanine, AKOS024464828, AM83450, FL282-1, OR14582, AC-25335, AK163626, AS-54556, AX8019293, FT-0679851, A-7218, 478F710, I14-26545, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-nitrophenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-nitro-L-phenylalanine, N-alpha-(9-Fluorenylmethyloxycarbonyl)-D-3-nitrophenylalanine, phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-nitro-, L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-nitro-, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-nitrophenyl)propionic acid, (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-(3-nitrophenyl)propanoic acid, (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(3-nitrophenyl)propanoic acid, (S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-(3-nitro-phenyl)-propionic acid, (S)-N-FMOC-3-AMINO-3-(3-NITROPHENYL) PROPANOIC ACID 95%(98%E.E.), Fmoc-L-3-NO2-Phe-OH, CID2761817, (S)-N-Fmoc-3-amino-3-(3-nitrophenyl)propanoic acid, 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-nitrophenyl)propanoic Acid, 478183-71-0,

Complexity	673
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	432.132g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	432.432g/mol
Monoisotopic Mass	432.132g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	121A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

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