Basic information
- Standard SMILES
C#CC(=O)NC1CCCN(C(=O)[C@H](C)N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)C1- InChIKey
QOSUWUWVVVNHCI-MYTHHOGPSA-N- Molecular formula
- C25H27ClN4O5S
- Average molar mass
- 531 g/mol
- Monoisotopic mass
- 530.1390688
Names & identifiers
- Preferred name
- N-{1-[(2S)-2-((3S)-3-{[(6-Chloro-2-naphthyl)sulfonyl]amino}-2-oxopyrrolidin-1-yl)propanoyl]piperidin-3-yl}prop-2-ynamide
- IUPAC
- N-[1-[(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoyl]piperidin-3-yl]prop-2-ynamide
Names & synonyms
SCHEMBL5146184QOSUWUWVVVNHCI-MYTHHOGPSA-NN-{1-[(2S)-2-((3S)-3-{[(6-Chloro-2-naphthyl)sulfonyl]amino}-2-oxopyrrolidin-1-yl)propanoyl]piperidin-3-yl}prop-2-ynamide
Database identifiers
- PubChem CID
- 10165402
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
3 records
Compound notes
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