N-acetyl-alanyl-prolyl-alaninamide
Basic information
- CAS
30802-31-4- Standard SMILES
CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O- InChIKey
MAMOUFIYTRKMAL-NRPADANISA-N- Molecular formula
- C13H22N4O4
- Average molar mass
- 298.34 g/mol
- Monoisotopic mass
- 298.1641052
Names & identifiers
- Preferred name
- N-acetyl-alanyl-prolyl-alaninamide
- IUPAC
- (2S)-1-[(2S)-2-acetamidopropanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
- English name
- N-acetyl-alanyl-prolyl-alaninamide
- Molecular formula
- C13H22N4O4
- Molecular weight
- 298.34
Names & synonyms
N-Acetyl-alanyl-prolyl-alaninamideN-Ac-Ala-pro-ala-amide30802-31-4DTXSID80184812RefChem:162572DTXCID20107303N-Acetyl-L-alanyl-L-prolyl-L-alaninamideL-Alaninamide, N-acetyl-L-alanyl-L-prolyl-
Database identifiers
- CAS
30802-31-4- PubChem CID
- 5488375
- DTXSID
DTXSID80184812
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 451
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Compound notes
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