Basic information
- Standard SMILES
CN(CCc1ccccc1NS(C)(=O)=O)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)OC(C)(C)C- InChIKey
ATUQAIUZNHEELU-AREMUKBSSA-N- Molecular formula
- C29H37N3O5S
- Average molar mass
- 539.7 g/mol
Names & identifiers
- Preferred name
- N-((1R)-1-(N-(2-(2-(methylsulfonylamino)phenyl)ethyl)-N-methylcarbamoyl)-2-(2-naphthyl)ethyl)-N-methylcarbamic acid tert-butyl-ester
- IUPAC
- tert-butyl N-[(2R)-1-[2-[2-(methanesulfonamido)phenyl]ethyl-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate
Names & synonyms
SCHEMBL7647564ATUQAIUZNHEELU-AREMUKBSSA-NN-((1R)-1-(N-(2-(2-(methylsulfonylamino)phenyl)ethyl)-N-methylcarbamoyl)-2-(2-naphthyl)ethyl)-N-methylcarbamic acid tert-butyl-ester
Database identifiers
- PubChem CID
- 53661815
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 897
Related reactions
4 records
Linked notes
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