AG000855

1026987-94-9 | L-Glutamic acid, N-[[[(1S)-3-carboxy-1-[(1,1-dimethylethoxy)carbonyl]propyl]amino]carbonyl]-, 1,5-bis(1,1-dimethylethyl) ester

AG000855

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CAS Number	1026987-94-9
Catalog Number	AG000855(AGN-PC-0WAGBS)
Chemical Name	L-Glutamic acid, N-[[[(1S)-3-carboxy-1-[(1,1-dimethylethoxy)carbonyl]propyl]amino]carbonyl]-, 1,5-bis(1,1-dimethylethyl) ester
IUPAC Name	(4S)-4-[[(2S)-1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]carbamoylamino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
InChI	InChI=1S/C23H40N2O9/c1-21(2,3)32-17(28)13-11-15(19(30)34-23(7,8)9)25-20(31)24-14(10-12-16(26)27)18(29)33-22(4,5)6/h14-15H,10-13H2,1-9H3,(H,26,27)(H2,24,25,31)/t14-,15-/m0/s1
InChI Key	KBDDHSXZOLZZGF-GJZGRUSLSA-N
MDL Number	MFCD28898588
Molecular Formula	C23H40N2O9
Molecular Weight	488.5717
SMILES	O=C(O)CC[C@H](NC(N[C@@H](CCC(OC(C)(C)C)=O)C(OC(C)(C)C)=O)=O)C(OC(C)(C)C)=O
Synonyms	DUPA(OtBu)-OH, (s)-5-tert-butoxy-4-(3-((s)-1,5-di-tert-butoxy-1,5-dioxopentan-2-yl)ureido)-5-oxopentanoic acid, 1026987-94-9, SCHEMBL1740383, KBDDHSXZOLZZGF-GJZGRUSLSA-N, AKOS027257093, HY-103591, CS-0028199, L-Glutamic acid, N-[[[(1S)-3-carboxy-1-[(1,1-dimethylethoxy)carbonyl]propyl]amino]carbonyl]-, 1,5-bis(1,1-dimethylethyl) ester,

Complexity	743
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	488.273g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	488.578g/mol
Monoisotopic Mass	488.273g/mol
Rotatable Bond Count	16
Topological Polar Surface Area	157A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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