Basic information
- Standard SMILES
O=C(O)CC(NC(=O)CNC(=O)NCCCNc1ccccn1)c1ccccc1- InChIKey
OVTDYDBDFCAMII-UHFFFAOYSA-N- Molecular formula
- C20H25N5O4
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.1906543
Names & identifiers
- Preferred name
- 3-Phenyl-3-(2-{3-[3-(pyridin-2-ylamino)propyl]ureido}ethanoylamino)propionic acid
- IUPAC
- 3-phenyl-3-[[2-[3-(pyridin-2-ylamino)propylcarbamoylamino]acetyl]amino]propanoic acid
Names & synonyms
SCHEMBL5846620OVTDYDBDFCAMII-UHFFFAOYSA-N3-phenyl-3-(2-{3-[3-(pyridin-2-ylamino)propyl]ureido}ethanoylamino)propionic acid
Database identifiers
- PubChem CID
- 21895299
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 525
Related reactions
2 records
Compound notes
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