Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC(O)C(NC(=O)C(CS(=O)(=O)Cc2ccccc2)NC(=O)N2CCOCC2)C1- InChIKey
PVFJUFWHOJCEPB-UHFFFAOYSA-N- Molecular formula
- C24H36N4O8S
- Average molar mass
- 540.6 g/mol
Names & identifiers
- Preferred name
- 3-Hydroxy-4-{2-[(morpholine-4-carbonyl)-amino]-3-phenylmethanesulfonyl-propionylamino}-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-[[3-benzylsulfonyl-2-(morpholine-4-carbonylamino)propanoyl]amino]-4-hydroxypyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL5435045PVFJUFWHOJCEPB-UHFFFAOYSA-N3-Hydroxy-4-{2-[(morpholine-4-carbonyl)-amino]-3-phenylmethanesulfonyl-propionylamino}-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69440153
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 905
Related reactions
2 records
Compound notes
Loading…