(2S,4S)-2-(chloroacetylamino)methyl-1-(4-nitrobenzyloxycarbonyl)-4-(triphenylmethylthio)pyrrolidine
Basic information
- Standard SMILES
O=C(CCl)NC[C@@H]1C[C@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1- InChIKey
OPQRCFZVFKSDPC-CONSDPRKSA-N- Molecular formula
- C34H32ClN3O5S
- Average molar mass
- 630.2 g/mol
Names & identifiers
- Preferred name
- (2S,4S)-2-(chloroacetylamino)methyl-1-(4-nitrobenzyloxycarbonyl)-4-(triphenylmethylthio)pyrrolidine
- IUPAC
- (4-nitrophenyl)methyl (2S,4S)-2-[[(2-chloroacetyl)amino]methyl]-4-tritylsulfanylpyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL9362971OPQRCFZVFKSDPC-CONSDPRKSA-N(2S,4S)-2-(chloroacetylamino)methyl-1-(4-nitrobenzyloxy-carbonyl)-4-(triphenylmethylthio)pyrrolidine(2S,4S)-2-(chloroacetylamino)methyl-1-(4-nitrobenzyloxycarbonyl)-4-(triphenylmethylthio)pyrrolidine
Database identifiers
- PubChem CID
- 57097948
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 894
Related reactions
3 records
Compound notes
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