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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

1H-Thieno[3,4-d]imidazole-4-pentanamide,N-[2-[[3-[[3-[(2,5-dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl]dithio]-1-oxopropyl]amino]ethyl]hexahydro-2-oxo-, (3aS,4S,6aR)-

O=C(CCSSCCC(=O)ON1C(=O)CCC1=O)NCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 Request for Quotation
Chemical Name: 1H-Thieno[3,4-d]imidazole-4-pentanamide,N-[2-[[3-[[3-[(2,5-dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl]dithio]-1-oxopropyl]amino]ethyl]hexahydro-2-oxo-, (3aS,4S,6aR)-
CAS Number: 142439-92-7
Product Number: AG009F8G(AGN-PC-0PSF4J)
Synonyms:
MDL No:
Molecular Formula: C22H33N5O7S3
Molecular Weight: 575.72172

Identification/Properties

Computed Properties
Molecular Weight:
575.714g/mol
XLogP3:
-1
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
17
Exact Mass:
575.154g/mol
Monoisotopic Mass:
575.154g/mol
Topological Polar Surface Area:
239A^2
Heavy Atom Count:
37
Formal Charge:
0
Complexity:
862
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

GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H360
Precautionary Statements:
P201-P202-P280-P308+P313-P405-P501
Class:
6.1
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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Chemical Structure


The compound (3aS,4S,6aR)-N-[2-[[3-[[3-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl]dithio]-1-oxopropyl]amino]ethyl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide, also known as $name$, is a valuable tool in chemical synthesis due to its unique structural features and reactivity. In a synthetic context, $name$ can function as a versatile building block for the construction of complex molecules. Its multiple functional groups, including amine, thioamide, and cyclic imidazole moieties, allow for a variety of synthetic manipulations and diversifications.$name$ can be utilized as a key intermediate in the synthesis of bioactive compounds, pharmaceuticals, and natural products. Its potential to participate in diverse chemical reactions, such as amide bond formation, thiol-disulfide exchange, and ring-closure reactions, makes it a valuable component in the design and execution of multi-step synthetic routes. By incorporating $name$ into synthetic strategies, chemists can access novel molecular architectures and explore new chemical space for drug discovery and material science applications.