(2S,4S)-4-mercapto-1-(4-nitrobenzyloxycarbonyl)-2-[4-(4-nitrobenzyloxycarbonylguanidino)piperidin-1-ylcarbonyl]pyrrolidine
Basic information
- Standard SMILES
N=C(N)N(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1- InChIKey
KBBYMNQZKSSQJJ-GOTSBHOMSA-N- Molecular formula
- C27H31N7O9S
- Average molar mass
- 629.6 g/mol
Names & identifiers
- Preferred name
- (2S,4S)-4-mercapto-1-(4-nitrobenzyloxycarbonyl)-2-[4-(4-nitrobenzyloxycarbonylguanidino)piperidin-1-ylcarbonyl]pyrrolidine
- IUPAC
- (4-nitrophenyl)methyl (2S,4S)-2-[4-[carbamimidoyl-[(4-nitrophenyl)methoxycarbonyl]amino]piperidine-1-carbonyl]-4-sulfanylpyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL8521853KBBYMNQZKSSQJJ-GOTSBHOMSA-N(2S,4S)-4-mercapto-1-(4-nitrobenzyloxycarbonyl)-2-[4-(4-nitrobenzyloxycarbonylguanidino)piperidin-1-ylcarbonyl]pyrrolidine
Database identifiers
- PubChem CID
- 88315940
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 222 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,080
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…