AG00HSLT

131980-29-5 | L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-3-nitro-

AG00HSLT

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CAS Number	131980-29-5
Catalog Number	AG00HSLT(AGN-PC-0PJMIW)
Chemical Name	L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-3-nitro-
IUPAC Name	(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitrophenyl)propanoic acid
InChI	InChI=1S/C14H18N2O6/c1-14(2,3)22-13(19)15-11(12(17)18)8-9-5-4-6-10(7-9)16(20)21/h4-7,11H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1
InChI Key	OWTGPXDXLMNQKK-NSHDSACASA-N
MDL Number	MFCD01317033
Molecular Formula	C14H18N2O6
Molecular Weight	310.3025
SMILES	O=C(O)[C@H](CC1=CC=CC([N+]([O-])=O)=C1)NC(OC(C)(C)C)=O
Synonyms	Boc-3-Nitro-L-Phenylalanine, 131980-29-5, Boc-L-3-Nitrophenylalanine, Boc-Phe(3-NO2)-OH, Boc-L-3-Nitrophe, (S)-N-Boc-3-Nitrophenylalanine, MFCD01317033, (S)-2-((tert-butoxycarbonyl)amino)-3-(3-nitrophenyl)propanoic acid, (S)-2-[(tert-butoxycarbonyl)amino]-3-(3-nitrophenyl)propanoic acid, AC1MC5TB, Boc-L-3-NO2-Phe-OH, 2-tert-Butoxycarbonylamino-3-(3-nitro-phenyl)-propionic acid, SCHEMBL2727571, Jsp001937, CTK0F9565, OWTGPXDXLMNQKK-NSHDSACASA-N, ZINC2243998, ZX-AT014552, (2S)-2-[(tert-butoxycarbonyl)amino]-3-(3-nitrophenyl)propanoic acid, ANW-74602, SBB065151, AKOS015836512, AKOS015890673, AC-2129, AM83448, BL280-1, OR14580, RTR-004391, AJ-34415, AK-41328, AN-14253, AS-31083, SC-10889, 3-Nitro-L-phenylalanine, N-BOC protected, AB0047550, AX8018020, DB-022708, FT-0650122, ST24046199, A-7710, Boc-Phe(3-NO2)-OH, >=98.0% (HPLC), (S)-3-Phenylaminobutanoic Acid Hydrochloride Salt, 980B295, (R)-2-Trifluoromethyphenylalanine Hydrochloride Salt, I01-7131, J-006099, Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-nitro-, (S)-2-tert-butoxycarbonylamino-3-(3-nitrophenyl)propionic acid, (2S)-2-(tert-butoxycarbonylamino)-3-(3-nitrophenyl)propanoic acid, (S)-2-(tert-butoxycarbonylamino)-3-(3-nitrophenyl)propanoic acid, (2S)-2-[(tert-butoxy)carbonylamino]-3-(3-nitrophenyl)propanoic acid, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitrophenyl)propanoic acid, 119349-11-0, BOC-D-3-NITROPHENYLALANINE, CB11735, CB11736, CB11738, CID2761816, Boc-3-nitro-L-phenylalanine, 98% - 1G 1g, A11975, N-[(1,1-dimethylethoxy)carbonyl]-3-nitro-L-Phenylalanine, 158741-21-0, 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitrophenyl)propanoic Acid,

Complexity	426
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	2.3

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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