Cyclo(tri(prolylglycyl))
Basic information
- CAS
37783-51-0- Standard SMILES
NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CC=C[C@H]1C=O- InChIKey
YEECVZDETXGRLF-JYJNAYRXSA-N- Molecular formula
- C21H30N6O6
- Average molar mass
- 462.5 g/mol
- Monoisotopic mass
- 462.2226827
Overview
cyclic hexapeptide forms Na+, K+ & Ca(2+) complexes
Names & identifiers
- Preferred name
- Cyclo(tri(prolylglycyl))
- IUPAC
- (2S)-1-(2-aminoacetyl)-N-[2-[(2S)-2-[[2-[(2S)-2-formyl-2,5-dihydropyrrol-1-yl]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide
- English name
- Cyclo(-Pro-Gly)3
- Molecular formula
- C21H30N6O6
- Molecular weight
- 462.5
Names & synonyms
Cyclo(pro-gly)3Cyclo(tri(prolylglycyl))c(PG)3Cyclo(tri(pro-gly))Cyclo-(L-prolyglycyl)(3)Cyclo-(L-prolyl-glycyl)(3)Cyclic(glycyl-L-prolylglycyl-L-prolylglycyl-L-prolyl)RefChem:12931237783-51-0(2S)-1-(2-aminoacetyl)-N-[2-[(2S)-2-[[2-[(2S)-2-formyl-2,5-dihydropyrrol-1-yl]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamideSCHEMBL30768148DTXSID90958829
Show more names
Cyclo(-Pro-Gly)3CYCLO(-PRO-GLY)3BPC-157cyclo(proline-glycine)3Cyclo(Pro-Gly)3, 97%(HPLC)Cyclo(L-prolylglycyl-L-prolylglycyl-L-prolylglycyl)Cyclo(glycyl-L-prolylglycyl-L-prolylglycyl-L-prolyl)(8AS,16aS,24aS)-octadecahydrotripyrrolo[1,2-a:1',2'-g:1'',2''-m][1,4,7,10,13,16]hexaazacyclooctadecine-5,8,13,16,21,24-hexaone
(2S)-N-(2-{(2S)-2-[({2-[(2S)-2-Formyl-2,5-dihydro-1H-pyrrol-1-yl]-2-oxoethyl}imino)(hydroxy)methyl]pyrrolidin-1-yl}-2-oxoethyl)-1-glycylpyrrolidine-2-carboximidic acidN-(2-{2-[{[2-(2-Formyl-2,5-dihydro-1H-pyrrol-1-yl)-2-oxoethyl]imino}(hydroxy)methyl]pyrrolidin-1-yl}-2-oxoethyl)-1-glycylpyrrolidine-2-carboximidic acid
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 845
Physicochemical properties
- Boiling point
- 972.1 · 972.1±65.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 13.05 · 13.05±0.20(Predicted)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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