Basic information
- CAS
107810-09-3- Standard SMILES
CCCCCN1CCC[C@H]1C(=O)N(C(=O)[C@@H]1CCC(=O)N1)C(=O)[C@@H](N)Cc1cncn1Cc1ncc[nH]1- InChIKey
RESILIOYOJMCAR-UFYCRDLUSA-N- Molecular formula
- C25H36N8O4
- Average molar mass
- 512.6 g/mol
- Monoisotopic mass
- 512.28595166
Names & identifiers
- Preferred name
- pyroglutamyl-((N3)-imidazolylmethyl)-histidyl-n-amylprolinamide
- IUPAC
- (2S)-N-[(2S)-2-amino-3-[3-(1H-imidazol-2-ylmethyl)imidazol-4-yl]propanoyl]-5-oxo-N-[(2S)-1-pentylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
- English name
- pyroglutamyl-((N3)-imidazolylmethyl)-histidyl-n-amylprolinamide
- Molecular formula
- C22H34N6O4
- Molecular weight
- 446.54
Names & synonyms
Pimhpp107810-09-3Pyroglutamyl-((N3)-imidazolylmethyl)-histidyl-n-amylprolinamidePyr-(N3-Im-methyl)-his-pro-NH-(n-pentyl)RefChem:177824(2S)-N-[(2S)-2-amino-3-[3-(1H-imidazol-2-ylmethyl)imidazol-4-yl]propanoyl]-5-oxo-N-[(2S)-1-pentylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamideDTXSID00910534N-(5-Hydroxy-3,4-dihydro-2H-pyrrole-2-carbonyl)-3-[(1H-imidazol-2-yl)methyl]-N-(1-pentylpyrrolidine-2-carbonyl)histidinamideN-[(2S)-5-Hydroxy-3,4-dihydro-2H-pyrrole-2-carbonyl]-3-[(1H-imidazol-2-yl)methyl]-N-[(2S)-1-pentylpyrrolidine-2-carbonyl]-L-histidinamide
Database identifiers
- CAS
107810-09-3- PubChem CID
- 147134
- DTXSID
DTXSID00910534
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 842
Physicochemical properties
- Boiling point
- 893.758 · 893.758±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.358 · 1.358±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.989 · 12.989±0.20(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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