tert-butyl (S)-1-((2S,4R)-4-(allylthio)-4-(biphenyl-4-yl)-2-((1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinylcyclopropylcarbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
Basic information
- Standard SMILES
C=CCS[C@@]1(c2ccc(-c3ccccc3)cc2)C[C@@H](C(=O)N[C@]2(C(=O)NS(=O)(=O)C3CC3)C[C@H]2C=C)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1- InChIKey
VUXROYITHZCWLS-HNUQXNGYSA-N- Molecular formula
- C40H52N4O7S2
- Average molar mass
- 765 g/mol
Names & identifiers
- Preferred name
- tert-butyl (S)-1-((2S,4R)-4-(allylthio)-4-(biphenyl-4-yl)-2-((1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinylcyclopropylcarbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
- IUPAC
- tert-butyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-(4-phenylphenyl)-4-prop-2-enylsulfanylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Names & synonyms
SCHEMBL12588657VUXROYITHZCWLS-HNUQXNGYSA-Ntert-butyl (S)-1-((2S,4R)-4-(allylthio)-4-(biphenyl-4-yl)-2-((1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinylcyclopropylcarbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
Database identifiers
- PubChem CID
- 44544709
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,510
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Related reactions
1 records
Compound notes
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