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Cyclo(-trp-trp)

CAS No.:
20829-55-4
Catalog Number:
AG002JMG
Molecular Formula:
C22H20N4O2
Molecular Weight:
372.4198
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%
In Stock USA
United States
$207
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Product Description
Catalog Number:
AG002JMG
Chemical Name:
Cyclo(-trp-trp)
CAS Number:
20829-55-4
Molecular Formula:
C22H20N4O2
Molecular Weight:
372.4198
MDL Number:
MFCD00237621
IUPAC Name:
(3S,6S)-3,6-bis(1H-indol-3-ylmethyl)piperazine-2,5-dione
InChI:
InChI=1S/C22H20N4O2/c27-21-19(9-13-11-23-17-7-3-1-5-15(13)17)25-22(28)20(26-21)10-14-12-24-18-8-4-2-6-16(14)18/h1-8,11-12,19-20,23-24H,9-10H2,(H,25,28)(H,26,27)/t19-,20-/m0/s1
InChI Key:
DNHODRZUCGXYKU-PMACEKPBSA-N
SMILES:
O=C1N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@H]1Cc1c[nH]c2c1cccc2
Properties
Complexity:
559  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
372.159g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
372.428g/mol
Monoisotopic Mass:
372.159g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Prenylation at the indole ring leads to a significant increase of cytotoxicity of tryptophan-containing cyclic dipeptides. Bioorganic & medicinal chemistry letters 20120615
QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorganic & medicinal chemistry 20070601
Synthesis of a small library of diketopiperazines as potential inhibitors of calpain. Bioorganic & medicinal chemistry letters 20050615
Properties