AG006YL9

219297-12-8 | (R)-3-((tert-Butoxycarbonyl)amino)-4-(4-nitrophenyl)butanoic acid

AG006YL9

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CAS Number	219297-12-8
Catalog Number	AG006YL9(AGN-PC-0QYGRL)
Chemical Name	(R)-3-((tert-Butoxycarbonyl)amino)-4-(4-nitrophenyl)butanoic acid
IUPAC Name	(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-nitrophenyl)butanoic acid
InChI	InChI=1S/C15H20N2O6/c1-15(2,3)23-14(20)16-11(9-13(18)19)8-10-4-6-12(7-5-10)17(21)22/h4-7,11H,8-9H2,1-3H3,(H,16,20)(H,18,19)/t11-/m1/s1
InChI Key	HTDDLFNQWIQXQX-LLVKDONJSA-N
MDL Number	MFCD01076285
Molecular Formula	C15H20N2O6
Molecular Weight	324.3291
SMILES	C(C)(C)(C)OC(=O)N[C@@H](CC(=O)O)CC1=CC=C(C=C1)[N+](=O)[O-]
Synonyms	219297-12-8, Boc-(R)-3-Amino-4-(4-nitrophenyl)butanoic acid, (R)-3-((tert-Butoxycarbonyl)amino)-4-(4-nitrophenyl)butanoic acid, Boc-(R)-3-Amino-4-(4-nitro-phenyl)-butyric acid, Boc-(R)-3-amino-4-(4-nitrophenyl)-butyric acid, (3R)-3-(tert-butoxycarbonylamino)-4-(4-nitrophenyl)butanoic acid, Boc-4-nitro-D-beta-homophenylalanine, (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-nitrophenyl)butanoic acid, AK162658, AC1ODVNS, SCHEMBL2789835, KS-00000HSA, Boc-D-?-Homophe(4-NO2)-OH, ZINC2572732, CB-812, MFCD01076285, AKOS025117404, DS-7892, RTR-010282, VC30179, AC-22243, ACM219297128, AN-29528, CC-24873, AX8016072, TR-010282, FT-0644010, K-6219, 297B128, C-19796, (3R)-3-(tert-butoxycarbonylamino)-4-(4-nitrophenyl)butyric acid, (3R)-3-[(tert-butoxycarbonyl)amino]-4-(4-nitrophenyl)butanoic acid, (r)-3-(tert-butoxycarbonylamino)-4-(4-nitrophenyl)butanoic acid, (R)-N-(tert-Butoxycarbonyl)-3-amino-4-(4-nitrophenyl)butanoic acid, (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-nitrophenyl)butanoic acid, (3R)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(4-nitrophenyl)butanoic acid, ACN-026317, CID7021581, BOC- -3-AMINO-4- -BUTYRICACID, (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-nitrophenyl)butanoic Acid,

Complexity	432
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	324.132g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	324.333g/mol
Monoisotopic Mass	324.132g/mol
Rotatable Bond Count	7
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

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