AG003OI4

33305-77-0 | Boc-Phe(4-NO2)-OH

AG003OI4

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CAS Number	33305-77-0
Catalog Number	AG003OI4(AGN-PC-0WACNR)
Chemical Name	Boc-Phe(4-NO2)-OH
EC Number	251-450-1
IUPAC Name	(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid
InChI	InChI=1S/C14H18N2O6/c1-14(2,3)22-13(19)15-11(12(17)18)8-9-4-6-10(7-5-9)16(20)21/h4-7,11H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1
InChI Key	XBQADBXCNQPHHY-NSHDSACASA-N
MDL Number	MFCD00038128
Molecular Formula	C14H18N2O6
Molecular Weight	310.3025
SMILES	O=C(O)[C@@H](NC(OC(C)(C)C)=O)CC1=CC=C([N+]([O-])=O)C=C1
Synonyms	33305-77-0, Boc-4-nitro-L-phenylalanine, Boc-Phe(4-NO2)-OH, Boc-L-4-Nitrophenylalanine, Boc-L-4-Nitrophe, (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-nitrophenyl)propanoic acid, N-Boc-4-nitro-L-phenylalanine, 103451-56-5, MFCD00038128, Boc-L-4-NO2-Phe-OH, N-(tert-Butoxycarbonyl)-4-nitro-L-phenylalanine, (2S)-2-[(tert-butoxycarbonyl)amino]-3-(4-nitrophenyl)propanoic acid, J-300423, Q-200737, (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-nitrophenyl)propanoic acid, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid, (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-nitrophenyl)propanoic acid, AK-48936, AC1ODWBS, BOC-p-nitrophenylalanine, N-Boc-p-nitrophenylalanine, Boc-p-nitro-L-phenylalanine, Boc-L-4-Nitro phenylalanine, Boc-L-4-nitro-Phenylalanine, Boc-Phe-(4-NO2)-OH, Boc-L-Phe(4-NO2)-OH, SCHEMBL199415, BOC-Phe (4-NO2)-OH, AMGLY00166, (S)-N-boc-4-nitrophenylalanine, CTK3C6188, KS-00000JAG, XBQADBXCNQPHHY-NSHDSACASA-N, ACT10799, ZINC2575529, ZX-AT014593, ANW-27605, CB-410, SBB064262, AKOS015836533, AKOS015889936, t-Butyloxycarbonyl-p-nitrophenylalanine, AC-9939, AC-9940, ACN-034065, BL061-2, CS-W007679, GS-0037, OR14584, RTR-013960, SS-6059, VA50195, ACM336877680, AJ-42392, BR-48936, SC-10897, AB0020158, AX8020277, ST2402761, TR-013960, AM20050370, FT-0629759, FT-0650098, N-(tert-butoxycarbonyl)-p-nitrophenylalanine, V0956, N-(t-butoxycarbonyl)-4-nitro-L-phenylalanine, N-tert-Butoxycarbonyl-4-nitro-L-phenylalanine, 05N770, Boc-Phe(4-NO2)-OH, >=99.0% (T), C-5413, A800742, A821720, Nalpha -t-Butyloxycarbonyl-p-Nitro-L-Phenylalanine, I01-4489, I06-1370, 4-nitro-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine, Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-nitro-, (S)-2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)propanoic acid, (S)-2-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid, (S)-3-[4-nitrophenyl]-2-tert-butoxycarbonylamino-propionic acid, 2-(S)-tert-butoxycarbonylamino-3-(4-nitrophenyl)-propionic acid, (2S)-2-[(tert-butoxy)carbonylamino]-3-(4-nitrophenyl)propanoic acid, L-Phenylalanine,N-(1-carboxyethyl)-4-nitro-, ethyl ester, (S)- (9CI), 336877-68-0, beta-naphthol, Boc-D-4-Nitrophe, Boc-4-nitro-D-phenylalanine, Boc-D-Phe(4-NO2)-OH, C14H18N2O6, EINECS 251-450-1, C14-H18-N2-O6, CB10778, CID7021882, A7624, B2232, N-(tert-Butoxycarbonyl)-4-nitrophenylalanine, Boc-Phe(4-NO2)-OH, 98% - 1G 1g, 61280-75-9, N-(tert-Butoxycarbonyl)-4-nitro-3-phenyl-L-alanine, 2-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid, 2-(S)-[(tert-Butoxycarbonyl)amino]-3-(4-nitrophenyl)propionic acid; N-(tert-Butoxycarbonyl)-4-nitro-L-phenylalanine, 86937-80-6,

Complexity	418
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	310.116g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	310.306g/mol
Monoisotopic Mass	310.116g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	121A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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

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