Basic information
- Standard SMILES
CN(CCc1ccccc1NS(C)(=O)=O)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)NC(=O)OC(C)(C)C- InChIKey
SSHATODEVYSGMB-OISAQCFMSA-N- Molecular formula
- C36H48N4O6S
- Average molar mass
- 664.9 g/mol
Names & identifiers
- Preferred name
- ((3E)-4-(N-((1R)-1-(N-(2-(2-(methylsulfonylamino)phenyl)ethyl)-N-methylcarbamoyl)-2-(2-naphthyl)ethyl)-N-methylcarbamoyl)-1,1-dimethylbut-3-enyl)carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[(E)-6-[[(2R)-1-[2-[2-(methanesulfonamido)phenyl]ethyl-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylamino]-2-methyl-6-oxohex-4-en-2-yl]carbamate
Names & synonyms
SCHEMBL7646284SSHATODEVYSGMB-OISAQCFMSA-N((3E)-4-(N-((1R)-1-(N-(2-(2-(methylsulfonylamino)phenyl)ethyl)-N-methylcarbamoyl)-2-(2-naphthyl)ethyl)-N-methylcarbamoyl)-1,1-dimethylbut-3-enyl)carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59965073
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
1 records
Compound notes
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