Propanoic acid,3-[[2-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]amino]ethyl]dithio]-, [3aS-(3aa,4b,6aa)]-


Chemical Name: Propanoic acid,3-[[2-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]amino]ethyl]dithio]-, [3aS-(3aa,4b,6aa)]-
CAS Number: 104582-29-8
Product Number: AG008STQ(AGN-PC-0OTKE1)
Synonyms:
MDL No:
Molecular Formula: C15H25N3O4S3
Molecular Weight: 407.5717

Identification/Properties


Computed Properties
Molecular Weight:
407.562g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
12
Exact Mass:
407.101g/mol
Monoisotopic Mass:
407.101g/mol
Topological Polar Surface Area:
183A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
481
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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