Basic information
- Standard SMILES
Cl.N=C(N)c1ccc2cc(OC(=O)c3ccc(CNC(=O)CCCC(=O)O)o3)ccc2c1- InChIKey
RCPINNSEDKEIIC-UHFFFAOYSA-N- Molecular formula
- C22H22ClN3O6
- Average molar mass
- 459.9 g/mol
- Monoisotopic mass
- 459.1197131
Names & identifiers
- Preferred name
- 6-Amidino-2-naphthyl 5-(4-carboxybutyrylaminomethyl)furan-2-carboxylate hydrochloride
- IUPAC
- 5-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-5-oxopentanoic acid;hydrochloride
Names & synonyms
SCHEMBL7276763RCPINNSEDKEIIC-UHFFFAOYSA-N6-Amidino-2-naphthyl 5-(4-carboxybutyrylaminomethyl)furan-2-carboxylate hydrochloride
Database identifiers
- PubChem CID
- 9825477
Properties
Computed structural properties
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 684
Related reactions
2 records
Compound notes
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