AG00HVBA

138662-63-2 | L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-b-phenyl-

AG00HVBA

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CAS Number	138662-63-2
Catalog Number	AG00HVBA(AGN-PC-0PN3EO)
Chemical Name	L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-b-phenyl-
IUPAC Name	(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,3-diphenylpropanoic acid
InChI	InChI=1S/C20H23NO4/c1-20(2,3)25-19(24)21-17(18(22)23)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3,(H,21,24)(H,22,23)/t17-/m0/s1
InChI Key	TYJDOLCFYZSNQC-KRWDZBQOSA-N
MDL Number	MFCD00191186
Molecular Formula	C20H23NO4
Molecular Weight	341.4009
SMILES	O=C(O)[C@@H](NC(OC(C)(C)C)=O)C(C1=CC=CC=C1)C2=CC=CC=C2
Synonyms	138662-63-2, Boc-L-3,3-Diphenylalanine, (s)-n-boc-2-amino-3,3-diphenylpropionic acid, Boc-3,3-diphenyl-L-alanine, Boc-beta-phenyl-Phe-OH, N-Boc-beta-phenyl-L-phenylalanine, (S)-2-((tert-Butoxycarbonyl)amino)-3,3-diphenylpropanoic acid, MFCD00191186, (s)-2-(tert-butoxycarbonylamino)-3,3-diphenylpropanoic acid, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,3-diphenylpropanoic acid, N-(tert-Butoxycarbonyl)-beta-phenyl-L-phenylalanine, (2S)-2-(tert-butoxycarbonylamino)-3,3-diphenyl-propanoic acid, (2S)-2-(tert-butoxycarbonylamino)-3,3-diphenyl-propionic acid, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,3-diphenyl-propanoic acid, (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3,3-diphenylpropanoic acid, AK-44377, PubChem20362, Boc-?-phenyl-Phe-OH, Boc-|A-phenyl-Phe-OH, AC1Q1MRG, AC1MC52A, Boc-I(2)-phenyl-Phe-OH, Boc-Ala(3,3-diphenyl)-OH, N-Boc-b-phenyl-L-phenylalanine, SCHEMBL2187825, Jsp002325, CTK8B9028, DTXSID70375797, TYJDOLCFYZSNQC-KRWDZBQOSA-N, KS-00000K4W, ZINC2556726, ZX-AT014650, ANW-61859, CB-115, SBB063873, AKOS015889716, BL502-1, OR14626, VZ33179, AJ-39962, AN-11772, AS-13142, CC-32553, H427, AB0013046, AX8002889, DB-042435, TL8000884, TR-005106, FT-0643290, Boc-(S)-2-amino-3,3-diphenylpropanoic acid, Boc-beta-phenyl-Phe-OH, >=98.0% (TLC), M-1146, N-(tert-butoxycarbonyl)-3,3-diphenyl-L-alanine, 662B632, C-23629, J-007165, J-505268, S14-2854, I14-39526, (2S)-2-tert-butoxycarbonylamino-3,3-diphenyl-propionic acid, (2S)-2-[(tert-butoxy)carbonylamino]-3,3-diphenylpropanoic acid, (2S)-2-[(tert-butoxycarbonyl)amino]-3,3-diphenylpropanoic acid, C20H23NO4, N- -beta-phenyl-L-phenylalanine, CID2761487, N-(tert-Butoxycarbonyl)-?-phenyl-L-phenylalanine, 2-((tert-Butoxycarbonyl)amino)-3,3-diphenylpropanoic acid, L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]--phenyl-, 143060-31-5, 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,3-diphenyl-propanoic Acid,

Complexity	427
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	4

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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