Basic information
- Standard SMILES
COC(=O)[C@H](Cc1ccccc1)NC[C@@H](C)NS(=O)(=O)c1ccc2cnccc2c1.Cl.Cl- InChIKey
MVURLXJOTOUFPM-RWFWAVKLSA-N- Molecular formula
- C22H27Cl2N3O4S
- Average molar mass
- 500.4 g/mol
- Monoisotopic mass
- 499.1099329
Names & identifiers
- Preferred name
- Methyl (S)-2-{(R)-2-(isoquinoline-6-sulfonamido)propylamino}-3-phenylpropanoate dihydrochloride
- IUPAC
- methyl (2S)-2-[[(2R)-2-(isoquinolin-6-ylsulfonylamino)propyl]amino]-3-phenylpropanoate;dihydrochloride
Names & synonyms
MVURLXJOTOUFPM-RWFWAVKLSA-NMethyl (S)-2-{(R)-2-(isoquinoline-6-sulfonamido)propylamino}-3-phenylpropanoate dihydrochloride
Database identifiers
- PubChem CID
- 131732007
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 645
Related reactions
1 records
Compound notes
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