AG01EO65

Name: SIRT5 inhibitor
Brand: Angene Chemical
SKU: AG01EO65

2166487-21-2 | SIRT5 inhibitor

AG01EO65

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CAS Number	2166487-21-2
Catalog Number	AG01EO65(AGN-PC-3H4683)
Chemical Name	SIRT5 inhibitor
IUPAC Name	3-[[(5S)-6-[[(2S)-1-(cyclobutylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-[(3-fluorophenyl)sulfonylamino]-6-oxohexyl]carbamothioylamino]propanoic acid
InChI	InChI=1S/C31H39FN6O6S2/c32-21-7-5-10-23(18-21)46(43,44)38-26(13-3-4-15-33-31(45)34-16-14-28(39)40)29(41)37-27(30(42)36-22-8-6-9-22)17-20-19-35-25-12-2-1-11-24(20)25/h1-2,5,7,10-12,18-19,22,26-27,35,38H,3-4,6,8-9,13-17H2,(H,36,42)(H,37,41)(H,39,40)(H2,33,34,45)/t26-,27-/m0/s1
InChI Key	NEJMWPNVCQYZKG-SVBPBHIXSA-N
MDL Number	MFCD31746885
Molecular Formula	C31H39FN6O6S2
Molecular Weight	674.8064
SMILES	O=C(NC1CCC1)[C@@H](NC([C@@H](NS(C2=CC(F)=CC=C2)(=O)=O)CCCCNC(NCCC(O)=O)=S)=O)CC3=CNC4=CC=CC=C34
Synonyms	SIRT5 inhibitor, 2166487-21-2, HY-112634, CS-0058682,

Complexity	1150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	674.236g/mol
Formal Charge	0
Heavy Atom Count	46
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	674.807g/mol
Monoisotopic Mass	674.236g/mol
Rotatable Bond Count	17
Topological Polar Surface Area	222A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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