Basic information
- Standard SMILES
C#CC(=O)N[C@H]1C[C@@H](C(=O)N[C@@H]2CCCc3ccccc32)N(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)C1- InChIKey
AQLWCBRXTUJRJB-BVONPENOSA-N- Molecular formula
- C33H47N5O6
- Average molar mass
- 609.8 g/mol
Names & identifiers
- Preferred name
- tert-Butyl ((S)-1-(((S)-3,3-dimethyl-1-oxo-1-((2S,4S)-4-propiolamido-2-(((R)-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)pyrrolidin-1-yl)butan-2-yl)amino)-1-oxopropan-2-yl)(methyl)carbamate
- IUPAC
- tert-butyl N-[(2S)-1-[[(2S)-3,3-dimethyl-1-oxo-1-[(2S,4S)-4-(prop-2-ynoylamino)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
Names & synonyms
SCHEMBL15424985AQLWCBRXTUJRJB-BVONPENOSA-Ntert-Butyl ((S)-1-(((S)-3,3-dimethyl-1-oxo-1-((2S,4S)-4-propiolamido-2-(((R)-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)pyrrolidin-1-yl)butan-2-yl)amino)-1-oxopropan-2-yl)(methyl)carbamate
Database identifiers
- PubChem CID
- 89930884
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,150
Related reactions
1 records
Compound notes
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