AG008XK2

Name: 2-aMino-3-Methyl-3-sulfino-4-(1H-1,2,3-triazol-1-yl)butyric acid
Brand: Angene Chemical
SKU: AG008XK2

118175-11-4 | 2-aMino-3-Methyl-3-sulfino-4-(1H-1,2,3-triazol-1-yl)butyric acid

AG008XK2

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CAS Number	118175-11-4
Catalog Number	AG008XK2(AGN-PC-0PBJHE)
Chemical Name	2-aMino-3-Methyl-3-sulfino-4-(1H-1,2,3-triazol-1-yl)butyric acid
IUPAC Name	2-amino-3-methyl-3-sulfino-4-(triazol-1-yl)butanoic acid
InChI	InChI=1S/C7H12N4O4S/c1-7(16(14)15,5(8)6(12)13)4-11-3-2-9-10-11/h2-3,5H,4,8H2,1H3,(H,12,13)(H,14,15)
InChI Key	HTKDZWPPZOALOH-UHFFFAOYSA-N
MDL Number	MFCD13191753
Molecular Formula	C7H12N4O4S
Molecular Weight	248.2596
SMILES	C(C(C(=O)O)N)(Cn1ccnn1)(S(=O)O)C
Synonyms	118175-11-4, Tazobactam related compound A, SCHEMBL8611647, alpha-Amino-beta-methyl-beta-sulfino-1H-1,2,3-triazole-1-butanoic Acid, J-003720, alpha-Amino-beta--methyl-beta--sulfino-1H-1,2,3-triazole-1-butanoic Acid, (2S,3S)-2-Amino-3-methyl-3-sulfino-4-(1H-1,2,3-triazol-1-yl)butanoic acid,

Complexity	302
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.058g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	248.257g/mol
Monoisotopic Mass	248.058g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	151A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	-4.6

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