AG000FDV

114873-06-2 | L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-

AG000FDV

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CAS Number	114873-06-2
Catalog Number	AG000FDV(AGN-PC-0NYKSB)
Chemical Name	L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-
IUPAC Name	(2S)-3-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C15H21NO4/c1-10-6-5-7-11(8-10)9-12(13(17)18)16-14(19)20-15(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChI Key	HBBXWMALJNZDOM-LBPRGKRZSA-N
MDL Number	MFCD01862944
Molecular Formula	C15H21NO4
Molecular Weight	279.3315
SMILES	O=C(O)[C@@H](NC(OC(C)(C)C)=O)CC1=CC=CC(C)=C1
Synonyms	114873-06-2, Boc-Phe(3-Me)-OH, Boc-3-methyl-L-phenylalanine, BOC-L-3-Methylphe, Boc-L-3-Methylphenylalanine, Boc-3-Methy-L-Phenylalanine, (S)-2-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoic acid, MFCD01862944, (2S)-2-(tert-butoxycarbonylamino)-3-(m-tolyl)propanoic acid, (2S)-3-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, AK163601, AC1MC50V, SCHEMBL16423, Boc-L-3-Methyl phenylalanine, CTK8C5721, HBBXWMALJNZDOM-LBPRGKRZSA-N, KS-00000HT3, ZINC2386873, ZX-AT014543, (2S)-2-[(tert-butoxycarbonyl)amino]-3-(3-methylphenyl)propanoic acid, CB-472, SBB066164, AKOS015836522, AKOS015895346, AC-9924, AM83421, BL076-1, OR14568, RTR-002709, AN-33271, AS-14666, M079, M102, SC-10862, AX8016105, TL8000436, TR-002709, FT-0642794, Boc-Phe(3-Me)-OH, >=98.0% (TLC), 3-methyl-N-(t-butoxycarbonyl)-L-phenylalanine, 73M062, K-1067, N-(tert-butoxycarbonyl)-3-methyl-L-phenylalanine, C-17572, J-003145, (S)-2-(tert-butoxycarbonylamino)-3-m-tolylpropanoic acid, (2S)-2-(tert-butoxycarbonylamino)-3-(m-tolyl)propionic acid, L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-, (2S)-2-[(tert-butoxy)carbonylamino]-3-(3-methylphenyl)propanoic acid, (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(3-methylphenyl)propanoic acid, (2S)-3-(3-methylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, Boc-D-Phe(3-Me)-OH, Boc-3-methyl-D-phenylalanine, Boc-D-3-Methylphenylalanine, C15H21NO4, CID2761470, 114873-14-2, 3-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid,

Complexity	348
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	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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