Basic information
- Standard SMILES
NC(CCC(=O)OC(=O)C(N)Cc1ccc(O)c(O)c1)C(=O)O- InChIKey
AHGDZFBXTQLEDG-UHFFFAOYSA-N- Molecular formula
- C14H18N2O7
- Average molar mass
- 326.3 g/mol
Names & identifiers
- Preferred name
- 2-Amino-5-[2-amino-3-(3,4-dihydroxyphenyl)propanoyl]oxy-5-oxopentanoic acid
- IUPAC
- 2-amino-5-[2-amino-3-(3,4-dihydroxyphenyl)propanoyl]oxy-5-oxopentanoic acid
Names & synonyms
SCHEMBL27753169
Database identifiers
- PubChem CID
- 76519086
Properties
Computed structural properties
- XLogP
- -3.7
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 443
Related reactions
1 records
Linked notes
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