AG003OFJ

104504-43-0 | (S)-3-(4-Benzoylphenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid

AG003OFJ

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CAS Number	104504-43-0
Catalog Number	AG003OFJ(AGN-PC-0NVSN2)
Chemical Name	(S)-3-(4-Benzoylphenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid
IUPAC Name	(2S)-3-(4-benzoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C21H23NO5/c1-21(2,3)27-20(26)22-17(19(24)25)13-14-9-11-16(12-10-14)18(23)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,22,26)(H,24,25)/t17-/m0/s1
InChI Key	HIQJNYPOWPXYIC-KRWDZBQOSA-N
MDL Number	MFCD00151886
Molecular Formula	C21H23NO5
Molecular Weight	369.4110
SMILES	C(=O)(c1ccc(cc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1ccccc1
Synonyms	104504-43-0, Boc-Bpa-OH, Boc-4-benzoyl-L-phenylalanine, Boc-L-4-Benzoylphenylalanine, (S)-3-(4-Benzoylphenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid, Boc-L-4-Benzoylalanine, Boc-p-Bz-Phe-OH, (2S)-3-(4-benzoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, (2S)-3-(4-benzoylphenyl)-2-(tert-butoxycarbonylamino)propanoic acid, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(phenylcarbonyl)phenyl]propanoic acid, (2S)-3-(4-benzoylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, Boc-p-benzoylphenylalanine, SCHEMBL5065660, CTK8C5199, DTXSID90426770, HIQJNYPOWPXYIC-KRWDZBQOSA-N, ZINC2517123, ANW-74586, MFCD00151886, AKOS015836543, AKOS015912005, BL660-1, CB-1272, RTR-000994, Boc-Bpa-OH, >=96.0% (HPLC), AJ-37028, AN-33947, PS-12873, SC-53775, AX8001392, TL8000185, FT-0655826, ST24036097, Z6743, K-0420, 454B430, A800989, N-(tert-Butoxycarbonyl)-4-benzoyl-L-phenylalanine, I14-3598, I14-3600, J-001186, N-alpha-t-Butyloxycarbonyl-4-benzoyl-L-phenylalanine, 4-benzoyl-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine, L-Phenylalanine, 4-benzoyl-N-[(1,1-dimethylethoxy)carbonyl]-, (2S)-3-(4-benzoylphenyl)-2-(tert-butoxycarbonylamino)propionic acid, (2S)-3-(4-benzoylphenyl)-2-[(tert-butoxycarbonyl)amino]propanoic acid, Boc-4-benzoyl-D-phenylalanine, C21H23NO5, CID7015809, 10454-43-0, 117666-94-1,

Complexity	525
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	369.158g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	369.417g/mol
Monoisotopic Mass	369.158g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	92.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number