Basic information
- Standard SMILES
COC(=O)[C@@H]1C[C@@](SC(C)C)(c2ccc(-c3ccccc3)cc2)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C- InChIKey
JPPSKCMTINCIDU-BKQYKDOASA-N- Molecular formula
- C32H44N2O5S
- Average molar mass
- 568.8 g/mol
Names & identifiers
- Preferred name
- (2S,4R)-methyl 4-(biphenyl-4-yl)-1-((S)-2-(tert-butoxycarbonylamino)-3,3-dimethylbutanoyl)-4-(isopropylthio)pyrrolidine-2-carboxylate
- IUPAC
- methyl (2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(4-phenylphenyl)-4-propan-2-ylsulfanylpyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL1433617JPPSKCMTINCIDU-BKQYKDOASA-N(2S,4R)-methyl 4-(biphenyl-4-yl)-1-((S)-2-(tert-butoxycarbonylamino)-3,3-dimethylbutanoyl)-4-(isopropylthio)pyrrolidine-2-carboxylate
Database identifiers
- PubChem CID
- 57998024
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 881
Related reactions
2 records
Compound notes
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