Basic information
- Standard SMILES
CCOC(=O)C(Cc1ccc2ccc(C(=N)N)cc2c1)c1ccc(O[C@H]2CCNC2)cc1.Cl.Cl- InChIKey
YLYAGXMAOLWCSE-VZBZPWRVSA-N- Molecular formula
- C26H31Cl2N3O3
- Average molar mass
- 504.4 g/mol
Names & identifiers
- Preferred name
- ethyl (+)-3-(7-amidino-2-naphthyl)-2-[4-[((3S)-3-pyrrolidinyl)oxy]phenyl]propionate dihydrochloride
- IUPAC
- ethyl 3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]propanoate;dihydrochloride
Names & synonyms
SCHEMBL7389283YLYAGXMAOLWCSE-VZBZPWRVSA-Nethyl (+)-3-(7-amidino-2-naphthyl)-2-[4-[((3S)-3-pyrrolidinyl)oxy]phenyl]propionate dihydrochloride
Database identifiers
- PubChem CID
- 70075336
Properties
Computed structural properties
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 634
Related reactions
3 records
Compound notes
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