Basic information
- Standard SMILES
CN(CCc1ccccc1OCCO)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N(C)C(=O)OC(C)(C)C- InChIKey
COYCLHHLHRFNTI-NWHOSPGDSA-N- Molecular formula
- C38H51N3O6
- Average molar mass
- 645.8 g/mol
Names & identifiers
- Preferred name
- N-((3E)-4-(N-((1R)-1-(N-(2-(2-(2-hydroxyethoxy)phenyl)ethyl)-N-methylcarbamoyl)-2-(2-naphthyl)ethyl)-N-methylcarbamoyl)-1,1-dimethylbut-3-enyl)-N-methylcarbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[(E)-6-[[(2R)-1-[2-[2-(2-hydroxyethoxy)phenyl]ethyl-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylamino]-2-methyl-6-oxohex-4-en-2-yl]-N-methylcarbamate
Names & synonyms
SCHEMBL7647850COYCLHHLHRFNTI-NWHOSPGDSA-NN-((3E)-4-(N-((1R)-1-(N-(2-(2-(2-hydroxyethoxy)phenyl)ethyl)-N-methylcarbamoyl)-2-(2-naphthyl)ethyl)-N-methylcarbamoyl)-1,1-dimethylbut-3-enyl)-N-methylcarbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59965071
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 16
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
1 records
Compound notes
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