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Basic information
- Standard SMILES
CCC(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NC(Cc1ccc2ccccc2c1)C(=O)OC- InChIKey
SHOAEUQBDHXEPY-UHFFFAOYSA-N- Molecular formula
- C24H25N3O7S
- Average molar mass
- 499.5 g/mol
Names & identifiers
- Preferred name
- 3-Naphthalen-2-yl-2-[2-(2-nitrobenzenesulfonylamino)-butyryl amino]-propionic acid methyl ester
- IUPAC
- methyl 3-naphthalen-2-yl-2-[2-[(2-nitrophenyl)sulfonylamino]butanoylamino]propanoate
Names & synonyms
SCHEMBL5844649SHOAEUQBDHXEPY-UHFFFAOYSA-N3-naphthalen-2-yl-2-[2-(2-nitrobenzenesulfonylamino)-butyryl amino]-propionic acid methyl ester
Database identifiers
- PubChem CID
- 69587712
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 854
Related reactions
1 records
Compound notes
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