AG005DBX

80102-29-0 | Boc-D-Phe(2-Me)-OH

AG005DBX

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CAS Number	80102-29-0
Catalog Number	AG005DBX(AGN-PC-0OICAV)
Chemical Name	Boc-D-Phe(2-Me)-OH
IUPAC Name	(2R)-3-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C15H21NO4/c1-10-7-5-6-8-11(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-/m1/s1
InChI Key	PCGOCPOJLMLJAR-GFCCVEGCSA-N
MDL Number	MFCD00671403
Molecular Formula	C15H21NO4
Molecular Weight	279.3315
SMILES	O=C(O)[C@H](NC(OC(C)(C)C)=O)CC1=CC=CC=C1C
Synonyms	80102-29-0, Boc-2-methyl-D-phenylalanine, Boc-D-Phe(2-Me)-OH, BOC-D-2-METHYLPHE, Boc-D-2-Methylphenylalanine, (R)-2-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid, (2R)-3-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, (2R)-2-(tert-butoxycarbonylamino)-3-(o-tolyl)propanoic acid, (2R)-2-(tert-butoxycarbonylamino)-3-(o-tolyl)propionic acid, (2R)-3-(2-methylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, AK163652, AC1ODTTM, Boc-2-Methy-D-Phenylalanine, Boc-D-2-methyl-4-fluorophe, SCHEMBL269929, CTK8C5727, DTXSID60427279, KS-00000JP5, ZINC2567266, ZX-AT014540, (2R)-2-[(tert-butoxycarbonyl)amino]-3-(2-methylphenyl)propanoic acid, CB-745, KM2014, MFCD00671403, SBB064573, AKOS015890211, AB06736, AC-9917, AM83413, CS-W012285, DS-8292, OR14565, VZ36662, CC-24924, AX8022668, tert-Butoxycarbonyl-D-2-methylphenylalanine, TL8000435, TR-025390, FT-0651875, 02M290, Boc-D-Phe(2-Me)-OH, >=98.0% (TLC), C-35268, I01-5156, I01-5205, N-TERT-BUTOXYCARBONYL-D-2-METHYL PHENYLALANINE, (R)-2-(tert-butoxycarbonylamino)-3-o-tolylpropanoic acid, (R)-2-tert-butoxycarbonylamino-3-(2-methylphenyl)propionic acid, (2R)-2-[(tert-butoxy)carbonylamino]-3-(2-methylphenyl)propanoic acid, Boc-L-2-Methylphenylalanine, Boc-2-methyl-L-phenylalanine, Boc-2-methyl-D-beta-phenylalanine, CID7020751, 114873-05-1, 3-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, 499995-74-3,

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	2.9

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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