Thionapthene-2-carboxylic acid-lysine
Basic information
- CAS
119979-98-5- Standard SMILES
NCCCC[C@H](N)C(=O)O.O=C(O)c1cc2ccccc2s1- InChIKey
OIRWVCFHDZVOIC-ZSCHJXSPSA-N- Molecular formula
- C15H20N2O4S
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.1143783
Overview
potent antihypercalcemic agent
Names & identifiers
- Preferred name
- Thionapthene-2-carboxylic acid-lysine
- IUPAC
- 1-benzothiophene-2-carboxylic acid;(2S)-2,6-diaminohexanoic acid
- English name
- thionapthene-2-carboxylic acid-lysine
- Molecular formula
- C15H20N2O4S
- Molecular weight
- 324.4
Names & synonyms
Thionapthene-2-carboxylic acid-lysineTNLY119979-98-5Thionapthene-2-carboxylic acid lysine saltRefChem:1895811-benzothiophene-2-carboxylic acid;(2S)-2,6-diaminohexanoic acidSCHEMBL9342986DTXSID20923166L-Lysine, monobenzo(b)thiophene-2-carboxylate1-Benzothiophene-2-carboxylic acid--lysine (1/1)1-Benzothiophene-2-carboxylic acid--L-lysine (1/1)
Database identifiers
- CAS
119979-98-5- PubChem CID
- 128997
- DTXSID
DTXSID20923166
Properties
Computed structural properties
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 299
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Compound notes
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