AG01ENL8

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CAS Number	1832713-02-6
Catalog Number	AG01ENL8(AGN-PC-3H45P0)
Chemical Name	RA839
IUPAC Name	(3S)-1-[4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
InChI	InChI=1S/C25H28N2O4S/c1-15-13-16(2)18(4)24(17(15)3)32(30,31)26-22-9-10-23(21-8-6-5-7-20(21)22)27-12-11-19(14-27)25(28)29/h5-10,13,19,26H,11-12,14H2,1-4H3,(H,28,29)/t19-/m0/s1
InChI Key	BVYWIQHJXAEJOD-IBGZPJMESA-N
MDL Number	MFCD30182350
Molecular Formula	C25H28N2O4S
Molecular Weight	452.5658
SMILES	O=C([C@@H]1CN(C2=C3C=CC=CC3=C(NS(=O)(C4=C(C)C(C)=CC(C)=C4C)=O)C=C2)CC1)O
Synonyms	CHEMBL3899754, RA 839, 1832713-02-6, (3s)-1-(4-{[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}naphthalen-1-Yl)pyrrolidine-3-Carboxylic Acid, SCHEMBL17599491, BDBM50200467, AKOS027470264, ZINC263620292, (3S)-1-[4-[[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino]-1-naphthalenyl]-3-pyrrolidinecarboxylic acid, (3S)-1-[4-[[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino]-1-naphthalenyl]-3-pyrrolidinecarboxylicacid, 51M, BVYWIQHJXAEJOD-IBGZPJMESA-N,

Complexity	767
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	452.177g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	452.569g/mol
Monoisotopic Mass	452.177g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	95.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

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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