Basic information
- Standard SMILES
Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(NCC(O)CC(=O)O)c2c1- InChIKey
TVGPNXAESGCBRY-UHFFFAOYSA-N- Molecular formula
- C23H25N3O5S
- Average molar mass
- 455.5 g/mol
Names & identifiers
- Preferred name
- 4-{[2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-yl]amino}-3-hydroxybutanoic acid
- IUPAC
- 4-[[2-(1,1-dioxo-3,5-dihydro-2H-1λ6,4-benzothiazepin-4-yl)-6-methylquinolin-4-yl]amino]-3-hydroxybutanoic acid
Names & synonyms
SCHEMBL14691952TVGPNXAESGCBRY-UHFFFAOYSA-N4-{[2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-yl]amino}-3-hydroxybutanoic acid
Database identifiers
- PubChem CID
- 71255253
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 757
Related reactions
2 records
Compound notes
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