Basic information
- Standard SMILES
CN[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCC(C)(C)OC(C)=O- InChIKey
DPRQPDDVGGETSG-KAYWLYCHSA-N- Molecular formula
- C30H37N3O4
- Average molar mass
- 503.6 g/mol
Names & identifiers
- Preferred name
- 1,1-dimethyl-2-((2R)-2-(N-methyl-N-((2R)-2-methylamino-3-(2-naphthyl)propionyl)amino)-3-phenylpropionylamino)ethyl acetate
- IUPAC
- [2-methyl-1-[[(2R)-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]propan-2-yl] acetate
Names & synonyms
SCHEMBL6317085DPRQPDDVGGETSG-KAYWLYCHSA-N1 ,1-dimethyl-2-((2R)-2-(N-methyl-N-((2R)-2-methylamino-3-(2-naphthyl)propionyl)amino)-3-phenylpropionylamino)ethyl acetate1 ,1dimethyl-2-((2R)-2-(N-methyl-N-((2R)-2-methylamino-3-(2-naphthyl)propionyl)amino)-3-phenyl-propionylamino)ethyl acetate1,1-Dimethyl-2-((2R)-2-(N-methyl-N-((2R)-2-methylamino-3-(2-naphthyl)propion-yl)amino)-3-phenylpropionylamino)ethyl Acetate1,1-dimethyl-2-((2R)-2-(N-methyl-N-((2R)-2-methylamino-3-(2-naphthyl)propionyl)amino)-3-phenyl propionylamino)ethyl acetate1,1-dimethyl-2-((2R)-2-(N-methyl-N-((2R)-2-methylamino-3-(2-naphthyl)propionyl)amino)-3-phenyl-propionylamino)ethyl acetate1,1-dimethyl-2-((2R)-2-(N-methyl-N-((2R)-2-methylamino-3-(2-naphthyl)propionyl)amino)-3-phenylpropionylamino)ethyl acetate1,1dimethyl-2-((2R)-2-(N-methyl-N-((2R)-2-methylamino-3-(2-naphthyl)propionyl)amino)-3-phenyl-propionylamino)ethyl acetate
Database identifiers
- PubChem CID
- 53772610
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 764
Related reactions
7 records
Compound notes
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