Basic information
- Standard SMILES
O=C(O)[C@H](CCCCCCCc1ccc2c(n1)NCCC2)NS(=O)(=O)c1ccccc1- InChIKey
BZNJQSLXUULJOU-NRFANRHFSA-N- Molecular formula
- C23H31N3O4S
- Average molar mass
- 445.6 g/mol
Names & identifiers
- Preferred name
- (S)-2-Benzenesulfonylamino-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid
- IUPAC
- (2S)-2-(benzenesulfonamido)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
Names & synonyms
CHEMBL185109SCHEMBL6422836BZNJQSLXUULJOU-NRFANRHFSA-NBDBM50152783(S)-2-Benzenesulfonylamino-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid2(s)-(benzenesulfonylamino)-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid
Database identifiers
- PubChem CID
- 21967992
- ChEMBL
CHEMBL185109
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 646
Related reactions
3 records
Compound notes
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