AG0003BA

Name: N-(2,3,5,6-Tetramethylphenylsulfonyl)-l-valine monohydrate
Brand: Angene Chemical
SKU: AG0003BA

1009595-18-9 | N-(2,3,5,6-Tetramethylphenylsulfonyl)-l-valine monohydrate

AG0003BA

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CAS Number	1009595-18-9
Catalog Number	AG0003BA(AGN-PC-0NV3UQ)
Chemical Name	N-(2,3,5,6-Tetramethylphenylsulfonyl)-l-valine monohydrate
IUPAC Name	3-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanoic acid
InChI	InChI=1S/C15H23NO4S/c1-8(2)13(15(17)18)16-21(19,20)14-11(5)9(3)7-10(4)12(14)6/h7-8,13,16H,1-6H3,(H,17,18)
InChI Key	FSSJWNVCOOWYHL-UHFFFAOYSA-N
MDL Number	MFCD18089851
Molecular Formula	C15H23NO4S
Molecular Weight	313.4124
SMILES	CC(C(C(O)=O)NS(C1=C(C)C(C)=CC(C)=C1C)(=O)=O)C
Synonyms	1009595-18-9, 3-METHYL-2-(2,3,5,6-TETRAMETHYLBENZENESULFONAMIDO)BUTANOIC ACID, 3-methyl-2-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}butanoic acid, ((2,3,5,6-tetramethylphenyl)sulfonyl)valine, AC1MRMRC, MFCD18089851, AC1Q1O7M, MLS001002199, CHEMBL1426906, CTK6A3803, HMS2683N16, 3-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanoic Acid, AKOS000813735, AKOS017263982, MCULE-2949915354, SMR000368719, EN300-10974, Z45637414, F1755-0101, CID3495343,

Complexity	455
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	313.135g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	313.412g/mol
Monoisotopic Mass	313.135g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	91.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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