AG00124N

136590-09-5 | L-Tyrosine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-nitro-

AG00124N

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CAS Number	136590-09-5
Catalog Number	AG00124N(AGN-PC-0O1ABZ)
Chemical Name	L-Tyrosine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-nitro-
IUPAC Name	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxy-3-nitrophenyl)propanoic acid
InChI	InChI=1S/C24H20N2O7/c27-22-10-9-14(12-21(22)26(31)32)11-20(23(28)29)25-24(30)33-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,12,19-20,27H,11,13H2,(H,25,30)(H,28,29)/t20-/m0/s1
InChI Key	JZUZJVFERQWLNC-FQEVSTJZSA-N
MDL Number	MFCD00171383
Molecular Formula	C24H20N2O7
Molecular Weight	448.4248
SMILES	OC(C=C1)=C([N+]([O-])=O)C=C1C[C@@H](C(O)=O)NC(OCC2C3=CC=CC=C3C4=CC=CC=C24)=O
Synonyms	Fmoc-3-nitro-L-tyrosine, 136590-09-5, Fmoc-Tyr(3-NO2)-OH, fmoc-3-nitro-tyrosine, fmoc-3-nitro-tyr-oh, fmoc-4-hydroxy-3-nitro-phe-oh, C24H20N2O7, AC1MBSU9, fmoc-l-tyr(3-no2)-oh, fmoc-(3-nitro)-l-tyr-oh, fmoc-phe(p-oh,m-no2)-oh, Ac-Tyr(3,5-NO2)-OH, SCHEMBL5062433, CTK3J1816, KS-00000ACB, ZINC2555634, ANW-74601, MFCD00171383, AKOS015837333, AKOS015896045, CS-W011584, RTR-004899, AJ-79738, AK-41353, CS-11902, SC-24459, AX8018164, TR-004899, FT-0643258, ST24047223, ST51037597, V1170, Fmoc-Tyr(3-NO2)-OH, >=97.0% (HPLC), 590F095, I06-1847, J-006872, N-(9H-Fluorene-9-ylmethoxycarbonyl)-3-nitro-L-tyrosine, N-alpha-(9-Fluorenylmethyloxycarbonyl)-L-3-nitrotyrosine, L-Tyrosine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-nitro-, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxy-3-nitrophenyl)propanoic acid, (2S)-2-[(fluoren-9-ylmethoxy)carbonylamino]-3-(4-hydroxy-3-nitrophenyl)propano ic acid, (S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(4-hydroxy-3-nitrophenyl)propanoic acid, (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-hydroxy-3-nitrophenyl)propanoic acid, N-Fmoc-3-nitro-L-tyrosine, Fmoc-Tyr(3-NO2)-OH - 5G 5g, CID2756119, A7630, A7646, 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxy-3-nitro-phenyl)propanoic Acid,

Complexity	704
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	448.127g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	448.431g/mol
Monoisotopic Mass	448.127g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	142A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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