Glutaryl-alanyl-alanyl-alanyl-propylamide
Basic information
- CAS
83808-39-3- Standard SMILES
CCCN[C@@H](C)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCCC(=O)O- InChIKey
FNDBNNHXFJAAKI-SRVKXCTJSA-N- Molecular formula
- C17H30N4O6
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.21653469
Overview
elastase inhibitor
Names & identifiers
- Preferred name
- Glutaryl-alanyl-alanyl-alanyl-propylamide
- IUPAC
- 5-oxo-5-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-2-(propylamino)propanoyl]amino]propan-2-yl]amino]propan-2-yl]amino]pentanoic acid
- English name
- 4-[[(1S)-1-[[(1S)-1-[[(2S)-2-propylaminopropanoyl]carbamoyl]ethyl]carb amoyl]ethyl]carbamoyl]butanoic acid
- Molecular formula
- C17H30N4O6
- Molecular weight
- 386.44
Names & synonyms
Glutaryl-alanyl-alanyl-alanyl-propylamideGlt(ala)(3)nhprGlutaryl-trialanyl-propylamide83808-39-3Glutaryl-ala-ala-ala-propylamideDTXSID70232694L-Alaninamide, N-(4-carboxy-1-oxobutyl)-L-alanyl-L-alanyl-N-propyl-RefChem:143706DTXCID001551855-oxo-5-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-2-(propylamino)propanoyl]amino]propan-2-yl]amino]propan-2-yl]amino]pentanoic acidN-(4-Carboxybutanoyl)-L-alanyl-N-[(2S)-2-(propylamino)propanoyl]-L-alaninamide4-[[(1S)-1-[[(1S)-1-[[(2S)-2-propylaminopropanoyl]carbamoyl]ethyl]carb amoyl]ethyl]carbamoyl]butanoic acid
Database identifiers
- CAS
83808-39-3- PubChem CID
- 5487660
- DTXSID
DTXSID70232694
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 552
Physicochemical properties
- Boiling point
- 816.302 · 816.302±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.176 · 1.176±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.64 · 4.640±0.10(predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…