AG003OG7

61280-75-9 | Boc-D-Phe(4-NO2)-OH

AG003OG7

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CAS Number	61280-75-9
Catalog Number	AG003OG7(AGN-PC-0ODBVR)
Chemical Name	Boc-D-Phe(4-NO2)-OH
IUPAC Name	(2R)-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-/m1/s1
InChI Key	XBQADBXCNQPHHY-LLVKDONJSA-N
MDL Number	MFCD00069880
Molecular Formula	C14H18N2O6
Molecular Weight	310.3025
SMILES	O=C(O)[C@@H](CC1=CC=C([N+]([O-])=O)C=C1)NC(OC(C)(C)C)=O
Synonyms	61280-75-9, Boc-4-nitro-D-phenylalanine, Boc-D-Phe(4-NO2)-OH, Boc-D-4-Nitrophe, (R)-2-((tert-Butoxycarbonyl)amino)-3-(4-nitrophenyl)propanoic acid, Boc-D-4-NO2-Phe-OH, N-(tert-Butoxycarbonyl)-4-nitro-D-phenylalanine, MFCD00069880, J-300424, D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-nitro-, (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid, AK-81116, AC1MBSH1, Boc-4-Nitro-D-Phe-OH, Boc-D-4-Nitrophenylalanine, Boc-D-4-Nitro phenylalanine, KSC912A1P, SCHEMBL441283, N-Boc-4-nitro-D-phenylalanine, CTK8B2017, KS-00000JJW, XBQADBXCNQPHHY-LLVKDONJSA-N, ACT10874, ZINC2545121, ZX-AT014594, (2R)-2-[(tert-butoxycarbonyl)amino]-3-(4-nitrophenyl)propanoic acid, ANW-33751, CB-743, KM0487, AKOS007930333, AM83457, CS-W009429, GS-0035, OR14585, RTR-021101, VZ35867, AJ-39241, AN-39353, CC-24939, Q003, SC-10898, AB0017335, AB1002747, AX8021778, TR-021101, A7625, FT-0629756, 80N759, M03220, A833140, Boc-D-Phe(4-NO2)-OH, >=98.0% (TLC), C-35271, I01-5209, (2R)-2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)propanoic acid, (R)-2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)propanoic acid, (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-nitrophenyl)propanoic acid, (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-nitrophenyl)propanoic acid, C14H18N2O6, ACN-034066, CID2755957, B3668, Boc-D-Phe(4-NO2)-OH, 98% - 1G 1g, 2-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid, (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-nitrophenyl)propanoic acid, N-(tert-Butoxycarbonyl)-4-nitro-D-phenylalanine; N-Boc-p-nitro-D-phenylalanine, 33305-77-0,

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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