AG009DO8

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CAS Number	1263046-87-2
Catalog Number	AG009DO8(AGN-PC-0WBO9F)
Chemical Name	DDE-D-DAP(FMOC)-OH
IUPAC Name	(2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]propanoic acid
InChI	InChI=1S/C28H30N2O6/c1-16(25-23(31)12-28(2,3)13-24(25)32)30-22(26(33)34)14-29-27(35)36-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21-22,31H,12-15H2,1-3H3,(H,29,35)(H,33,34)/t22-/m1/s1
InChI Key	RLKWTEXBXUEJRZ-JOCHJYFZSA-N
MDL Number	MFCD05663739
Molecular Formula	C28H30N2O6
Molecular Weight	490.5476
SMILES	CC(N[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O)=C1C(=O)CC(C)(C)CC1=O
Synonyms	Dde-D-Dap(Fmoc)-OH, 1263046-87-2, (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl)amino)propanoic acid, 6582AH, MFCD05663739, AKOS030212361, ZINC100229959, J-005365, N-alpha-(4,4-Dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl-N-beta-(9-fluorenylmethyloxycarbonyl)-D-2,3-diaminopropionic acid, Nalpha-1-(4,4-Dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl-Nbeta-Fmoc-D-2,3-diamino-propionic acid, C28H30N2O6,

Complexity	916
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	490.21g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	490.556g/mol
Monoisotopic Mass	490.21g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	125A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited