Tuftsinyltuftsin
Basic information
- CAS
80938-76-7- Standard SMILES
C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[C@@H](C)O- InChIKey
GCQKMLBIJULQQS-YCSONJRRSA-N- Molecular formula
- C42H78N16O11
- Average molar mass
- 983.2 g/mol
- Monoisotopic mass
- 982.60359737
Overview
octapeptide consisting of 2 moles of tufsin; better than tuftsin in prolonging life of syngeneic mice injected with L1210 leukemia cells
Names & identifiers
- Preferred name
- Tuftsinyltuftsin
- IUPAC
- (2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
- English name
- tuftsinyltuftsin
- Molecular formula
- C42H78N16O11
- Molecular weight
- 983.16932
Names & synonyms
TuftsinyltuftsinThr-lys-pro-arg-thr-lys-pro-argThreonyl-lysyl-prolyl-arginyl-threonyl-lysyl-prolyl-arginineL-Arginine, N2-(1-(N2-(N-(N2-(1-(N2-L-threonyl-L-lysyl)-L-prolyl)-L-arginyl)-L-threonyl)-L-lysyl)-L-prolyl)-80938-76-7RefChem:192484SCHEMBL11170849
Database identifiers
- CAS
80938-76-7- PubChem CID
- 133571
Properties
Computed structural properties
- XLogP
- -8.3
- Topological polar surface area
- 471 Ų
- Hydrogen bond donors
- 15
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 31
- Heavy atoms
- 69
- Formal charge
- 0
- Complexity
- 1,780
Chemistry & industry
Applications
DescriptionTuftsinyltuftsin is a synthetic derivative of tuftsin that ha shown signs of prolonging the life of mice with injected leukemia cells
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