Basic information
- Standard SMILES
CCCCN(CCCC)c1cccc2c(S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O)cccc12- InChIKey
RKEJJOKRDYBGJM-SFHVURJKSA-N- Molecular formula
- C22H30N2O6S
- Average molar mass
- 450.6 g/mol
Names & identifiers
- Preferred name
- (5-dibutylamino-naphthalene-1-sulfonyl)-L-aspartic acid
- IUPAC
- (2S)-2-[[5-(dibutylamino)naphthalen-1-yl]sulfonylamino]butanedioic acid
Names & synonyms
SCHEMBL5015699RKEJJOKRDYBGJM-SFHVURJKSA-N(5-dibutylamino-naphthalene-1-sulfonyl)-L-aspartic acid
Database identifiers
- PubChem CID
- 69279796
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 685
Related reactions
1 records
Compound notes
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