Basic information
- Standard SMILES
CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)c1nccs1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1- InChIKey
WYISQCKXGKXPAA-WMBTUWJCSA-N- Molecular formula
- C30H44N4O3S
- Average molar mass
- 540.8 g/mol
Names & identifiers
- Preferred name
- N,beta,beta-trimethyl-L-phenylalanyl-N1-[(1S,2E)-1-isopropyl-3-methyl-4-oxo-4-(1,3-thiazol-2-yl)but-2-enyl]-N1,3-dimethyl-L-valinamide
- IUPAC
- (2S)-N-[(E,3S)-2,5-dimethyl-6-oxo-6-(1,3-thiazol-2-yl)hex-4-en-3-yl]-N,3,3-trimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanamide
Names & synonyms
CHEMBL182619SCHEMBL4368639WYISQCKXGKXPAA-WMBTUWJCSA-NN,beta,beta-trimethyl-L-phenylalanyl-N1-[(1S,2E)-1-isopropyl-3-methyl-4-oxo-4-(1,3-thiazol-2-yl)but-2-enyl]-N1,3-dimethyl-L-valinamide
Database identifiers
- PubChem CID
- 11613574
- ChEMBL
CHEMBL182619
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 858
Related reactions
2 records
Compound notes
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