AG000YDR

128779-47-5 | [1,1'-Biphenyl]-4-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αR)-

AG000YDR

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CAS Number	128779-47-5
Catalog Number	AG000YDR(AGN-PC-0PIU0J)
Chemical Name	[1,1'-Biphenyl]-4-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αR)-
IUPAC Name	(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic acid
InChI	InChI=1S/C20H23NO4/c1-20(2,3)25-19(24)21-17(18(22)23)13-14-9-11-16(12-10-14)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,21,24)(H,22,23)/t17-/m1/s1
InChI Key	NBVVKAUSAGHTSU-QGZVFWFLSA-N
MDL Number	MFCD00191185
Molecular Formula	C20H23NO4
Molecular Weight	341.4009
SMILES	O=C(O)[C@H](NC(OC(C)(C)C)=O)CC1=CC=C(C2=CC=CC=C2)C=C1
Synonyms	128779-47-5, BOC-D-4,4'-BIPHENYLALANINE, Boc-3-(4-Biphenylyl)-D-alanine, Boc-D-4,4-Biphenylalanine, (R)-3-([1,1'-BIPHENYL]-4-YL)-2-((TERT-BUTOXYCARBONYL)AMINO)PROPANOIC ACID, BOC-4-BIPHENYL-D-ALA, BOC-D-4-PHENYLPHENYLALANINE, BOC-4-PHENYL-D-PHE-OH, MFCD00191185, Boc-D-Bip-OH, (2R)-2-(tert-butoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid, (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic acid, Boc-4-phenyl-D-phenylalanine, AK-41318, PubChem9091, BOC-D-BPH-OH, boc-d-phe(4-phenyl)-oh, Boc-D-4,4'-Diphenylalanine, AMBZ0392, SCHEMBL1326276, KS-00000IQS, DTXSID20427078, BOC-D-BIP(4,4')-OH, N-Boc-4,4'-Biphenyl-D-alanine, NBVVKAUSAGHTSU-QGZVFWFLSA-N, BCP14591, EBD50517, ZINC2556725, ZX-AT021783, N-Boc-3-(4-biphenylyl)-D-alanine, SBB067458, AB04548, AC-9870, ACN-036766, AM85544, CB-1271, CS-W023100, DS-1074, OR14631, BOC-D-ALA(4,4'-BIPHENYL)-OH, AJ-39961, BC245621, BR-41318, SC-65749, AB0047513, AX8017949, TL8000698, FT-0643096, ST24030194, V1221, S-2019, 779B475, I14-3535, 3-(4-Biphenylyl)-N-(tert-butoxycarbonyl)-D-alanine, (R)-3-biphenyl-4-yl-2-t-butoxycarbonylamino-propionic acid, (2R)-2-(tert-butoxycarbonylamino)-3-(4-phenylphenyl)propionic acid, (R)-3-(4-Biphenylyl)-2-(tert-butyloxycarbonylamino)propionic acid, (2R)-2-[(tert-butoxy)carbonylamino]-3-(4-phenylphenyl)propanoic acid, (2R)-2-[(tert-butoxycarbonyl)amino]-3-(4-phenylphenyl)propanoic acid, (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-phenylphenyl)propanoic acid, (R)-3-(BIPHENYL-4-YL)-2-(TERT-BUTOXYCARBONYLAMINO)PROPANOIC ACID, (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid, (2R)-3-(BIPHENYL-4-YL)-2-[(TERT-BUTOXYCARBONYL)AMINO]PROPANOIC ACID, (2R)-3-{[1,1'-biphenyl]-4-yl}-2-{[(tert-butoxy)carbonyl]amino}propanoic acid, [1,1'-Biphenyl]-4-propanoic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-, (alphaR)-, Boc-4-phenyl-D-phenylalanine; 3-(4-Biphenylyl)-N-(tert-butoxycarbonyl)-D-alanine, (2R)-3-([1,1'-Biphenyl]-4-yl)-2-[(tert-butoxycarbonyl)amino]propanoic acid (non-preferred name), C20H23NO4, BOC-P-PHENYL-D-PHENYLALANINE, CB10979, CID7019133, 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic Acid, 147923-08-8,

Complexity	443
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	341.163g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	341.407g/mol
Monoisotopic Mass	341.163g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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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