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Home Aminos 4-{[2-acetyl-5-(tert-butyl)-3-thienyl]amino}-4-oxobutanoic acid

4-{[2-acetyl-5-(tert-butyl)-3-thienyl]amino}-4-oxobutanoic acid

CAS No.:
187334-30-1
Catalog Number:
AG01CL9T
Molecular Formula:
C14H19NO4S
Molecular Weight:
297.3700
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
1 week
United States
$266
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Product Description
Catalog Number:
AG01CL9T
Chemical Name:
4-{[2-acetyl-5-(tert-butyl)-3-thienyl]amino}-4-oxobutanoic acid
CAS Number:
187334-30-1
Molecular Formula:
C14H19NO4S
Molecular Weight:
297.3700
MDL Number:
MFCD00096545
IUPAC Name:
4-[(2-acetyl-5-tert-butylthiophen-3-yl)amino]-4-oxobutanoic acid
InChI:
InChI=1S/C14H19NO4S/c1-8(16)13-9(7-10(20-13)14(2,3)4)15-11(17)5-6-12(18)19/h7H,5-6H2,1-4H3,(H,15,17)(H,18,19)
InChI Key:
XMCLFLQWXHXSGS-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(sc1C(=O)C)C(C)(C)C)CCC(=O)O
Properties
Complexity:
403  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.103g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
297.369g/mol
Monoisotopic Mass:
297.103g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties