(2S,4S)-4-acetylthio-1-(4-nitrobenzyloxycarbonyl)-2-(3-(4-nitrobenzyloxycarbonylmethylaminocarbonyl)phenylcarbamoyl)-pyrrolidine
Basic information
- Standard SMILES
CC(=O)S[C@H]1C[C@@H](C(=O)Nc2cccc(C(=O)NCC(=O)OCc3ccc([N+](=O)[O-])cc3)c2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1- InChIKey
DHKKJTZADKFNHF-SVBPBHIXSA-N- Molecular formula
- C31H29N5O11S
- Average molar mass
- 679.7 g/mol
Names & identifiers
- Preferred name
- (2S,4S)-4-acetylthio-1-(4-nitrobenzyloxycarbonyl)-2-(3-(4-nitrobenzyloxycarbonylmethylaminocarbonyl)phenylcarbamoyl)-pyrrolidine
- IUPAC
- (4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-[[3-[[2-[(4-nitrophenyl)methoxy]-2-oxoethyl]carbamoyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL8122476DHKKJTZADKFNHF-SVBPBHIXSA-N(2S,4S)-4-acetylthio-1-(4-nitrobenzyloxycarbonyl)-2-(3-(4-nitrobenzyloxycarbonylmethylaminocarbonyl)phenylcarbamoyl)-pyrrolidine
Database identifiers
- PubChem CID
- 57286643
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 248 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 13
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
1 records
Compound notes
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