Basic information
- Standard SMILES
N#CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1- InChIKey
ISEKEJMJWKBZCJ-RYUDHWBXSA-N- Molecular formula
- C15H16N4O3
- Average molar mass
- 300.31 g/mol
Names & identifiers
- Preferred name
- L-Pyroglutamyl-L-phenylalanylcyanamide
- IUPAC
- (2S)-N-[(2S)-1-(cyanoamino)-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Names & synonyms
SCHEMBL1643201CHEMBL2373015ISEKEJMJWKBZCJ-RYUDHWBXSA-NL-Pyroglutamyl-L-phenylalanylcyanamide
Database identifiers
- PubChem CID
- 14054641
- ChEMBL
CHEMBL2373015
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 490
Related reactions
3 records
Compound notes
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