Basic information
- Standard SMILES
O=C(O)c1cnc(N2CC3C(C2)C3N(CCN2CCCC2=O)S(=O)(=O)c2ccc3ccccc3c2)nc1- InChIKey
CEXGYSHJCBLXLV-UHFFFAOYSA-N- Molecular formula
- C26H27N5O5S
- Average molar mass
- 521.6 g/mol
- Monoisotopic mass
- 521.17329015
Names & identifiers
- Preferred name
- 2-(6-{(Naphthalene-2-sulfonyl)-[2-(2-oxopyrrolidin-1-yl)ethyl]amino}-3-azabicyclo[3.1.0]hex-3-yl)pyrimidine-5-carboxylic acid
- IUPAC
- 2-[6-[naphthalen-2-ylsulfonyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxylic acid
Names & synonyms
SCHEMBL1011664CEXGYSHJCBLXLV-UHFFFAOYSA-N2-(6-{(naphthalene-2-sulfonyl)-[2-(2-oxopyrrolidin-1-yl)ethyl]amino}-3-azabicyclo[3.1.0]hex-3-yl)pyrimidine-5-carboxylic acid2-(6-{(Naphthalene-2-sulfonyl)-[2-(2oxo-pyrrolidin-1-yl)ethyl]amino}-3-aza-bicyclo[3.1.0]hex-3-yl)-pyrimidine-5-carboxylic acid
Database identifiers
- PubChem CID
- 59367635
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 968
Related reactions
3 records
Linked notes
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