AG003OHA

254101-10-5 | (3R)-5-(benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-5-oxopentanoic acid

AG003OHA

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CAS Number	254101-10-5
Catalog Number	AG003OHA(AGN-PC-0R16Q0)
Chemical Name	(3R)-5-(benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-5-oxopentanoic acid
IUPAC Name	(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid
InChI	InChI=1S/C17H23NO6/c1-17(2,3)24-16(22)18-13(9-14(19)20)10-15(21)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20)/t13-/m1/s1
InChI Key	FAFJSSKTLCNWRJ-CYBMUJFWSA-N
MDL Number	MFCD01862861
Molecular Formula	C17H23NO6
Molecular Weight	337.3676
SMILES	O=C(OCC1=CC=CC=C1)C[C@@H](CC(O)=O)NC(OC(C)(C)C)=O
Synonyms	254101-10-5, Boc-beta-Hoasp(Obzl)-OH, Boc-L-beta-glutamic acid 5-benzyl ester, Boc-beta-homoaspartic acid(OBzl), Boc--HoAsp(OBzl)-OH, Boc-beta-Glu(OBzl)-OH, MFCD01862861, Boc-|A-HoAsp(OBzl)-OH, (R)-5-(benzyloxy)-3-((tert-butoxycarbonyl)amino)-5-oxopentanoic acid, (3R)-5-benzyloxy-3-(tert-butoxycarbonylamino)-5-oxo-pentanoic acid, (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid, AK-89147, N-Boc-L-beta-homoaspartic acid 5-benzyl ester, AC1MC54D, SCHEMBL6685929, KS-00000J6X, ZINC2386821, Boc-L-beta-Homoaspartic acid(OBzl), 2063AB, AC-9070, AN-7391, CS-W013926, FCH3612950, Boc-a degrees (3/4)-HoAsp(OBzl)-OH, ACM254101105, AJ-35387, DS-18582, AX8019708, BOC-L-Beta-Glutamic acid 5- Benzyl Ester, Boc-L-beta-homoaspartic acid 5-benzyl ester, FT-0658189, ST24046205, Boc-beta-Glu(OBzl)-OH, >=98.0% (HPLC), 101B105, (3R)-5-benzoxy-3-(tert-butoxycarbonylamino)-5-keto-valeric acid, (3R)-5-(benzyloxy)-3-[(tert-butoxycarbonyl)amino]-5-oxopentanoic acid, (3R)-5-(benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-5-oxopentanoic acid, (3R)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxo-5-phenylmethoxypentanoic acid, (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-5-phenylmethoxy-pentanoic acid, fmoc-Asparaginol, Fmoc-Asparaginol(Trt), Boc-?-HoAsp(OBzl)-OH, C17H23NO6, ACN-034166, CID2761513, Boc-L-beta-glutamic acid 5-benzyl ester, 99% - 1G 1g, 3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxy-pentanoic Acid, Pentanedioic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(phenylmethyl) ester, (3R)-,

Complexity	437
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	337.153g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	337.372g/mol
Monoisotopic Mass	337.153g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

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