AG0002CL

100564-78-1 | Benzenebutanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-

AG0002CL

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CAS Number	100564-78-1
Catalog Number	AG0002CL(AGN-PC-0OPTG7)
Chemical Name	Benzenebutanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-
IUPAC Name	(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid
InChI	InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-12(13(17)18)10-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChI Key	MCODLPJUFHPVQP-LBPRGKRZSA-N
MDL Number	MFCD00076904
Molecular Formula	C15H21NO4
Molecular Weight	279.3315
SMILES	C(C)(C)(C)OC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)O
Synonyms	Boc-L-homophenylalanine, 100564-78-1, Boc-Homophe-OH, Boc-L-Homo-Phe, (S)-2-((tert-Butoxycarbonyl)amino)-4-phenylbutanoic acid, Boc-homophenylalanine, BOC-HOPHE-OH, BOC-HFE-OH, N-boc-L-homophenylalanine, MFCD00076904, N-BOC-(L)-HOMOPHENYLALANINE, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid, J-300428, J-640376, (2S)-2-(tert-butoxycarbonylamino)-4-phenyl-butanoic acid, (S)-2-(TERT-BUTOXYCARBONYLAMINO)-4-PHENYLBUTANOIC ACID, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butanoic acid, (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenylbutanoic acid, BOC-D-HOMOPHENYL-ALA, Boc-L-Homophe, AK-47437, N-Boc-Homophenylalanine, PubChem16440, AC1Q1MSI, Boc-(L)-homophenylalanine, Boc-3-Benzyl-L-Ala-OH, SCHEMBL181775, B0C-L-HOMOPHENYLALANINE, N-alpha-Boc-L-homophenylalanine, (2S)-2-[(tert-butoxycarbonyl)amino]-4-phenylbutanoic acid, DTXSID10427007, MCODLPJUFHPVQP-LBPRGKRZSA-N, BCP09717, CS-D1787, ZINC2554980, ZX-AT014535, CB-716, CB-752, SBB063809, AKOS015889771, AB02912, AC-9057, AC-9058, AN-7378, BL041-1, OR14560, RP29815, Boc-Homophe-OH, >=98.0% (TLC), N-(t-butoxycarbonyl)-L-homophenylalanine, AJ-39656, AS-15600, BBV-44995739, BC250542, BR-47437, Q009, SC-10982, (S)-2-(Boc-amino)-4-phenylbutyric acid, AB0017341, AX8016102, N-(tert-Butoxycarbonyl)-L-homophenylalanine, TC-020872, AM20050371, B4356, FT-0080206, C-5613, (S)-2-(BOC-AMINO)-4-PHENYL-BUTYRIC ACID, 564B781, A800236, C-17584, (S)-2-tert-butoxycarbonylamino-4-phenylbutyric acid, (S)-N-t-butoxycarbonyl-2-amino-4-phenylbutyric acid, (2S)-2-(tert-butoxycarbonylamino)-4-phenyl-butyric acid, (S)-2-(tert-Butoxycarbonylamino)-4-phenylbutyric Acid, (2S)-2-[(tert-butoxy)carbonylamino]-4-phenylbutanoic acid, (2S)-2-{[(Tert-Butoxy)Carbonyl]Amino}-4-phenyl-Mutanoic Acid, (S)-2-(N-(tert-butoxycarbonyl)amino)-4-phenylbutanoic acid, (S)-2-TERT-BUTOXYCARBONYLAMINO-4-PHENYL-BUTYRIC ACID, (2S)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutanoic acid, Benzenebutanoic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-, (alphaS)-, Boc-D-Homophe, Boc-D-homophenylalanine, Boc-beta-Homophe-OH, BOC-HPH-OH, Boc-L-beta-homophenylalanine, C15H21NO4, Boc-Homophe-OH, 99% - 1G 1g, ACN-034077, CID7018726, CS-O-11252, N-TERT-BUTOXYCARBONYL-L-HOMOPHENYLALANINE, 82732-07-8, 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butanoic Acid, 51871-62-6,

Complexity	329
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	279.147g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	279.336g/mol
Monoisotopic Mass	279.147g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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