Basic information
- Standard SMILES
CC(=O)OC1NC(=O)C1NC(=O)C(CS(=O)(=O)Cc1ccccc1)NC(=O)N1CCOCC1- InChIKey
BRENAYZEMJPHQA-UHFFFAOYSA-N- Molecular formula
- C20H26N4O8S
- Average molar mass
- 482.5 g/mol
Names & identifiers
- Preferred name
- Acetic acid 3-{2-[(morpholine-4-carbonyl)-amino]-3-phenylmethanesulfonyl-propionylamino}-4-oxo-azetidin-2-yl ester
- IUPAC
- [3-[[3-benzylsulfonyl-2-(morpholine-4-carbonylamino)propanoyl]amino]-4-oxoazetidin-2-yl] acetate
Names & synonyms
SCHEMBL5443366BRENAYZEMJPHQA-UHFFFAOYSA-Nacetic acid 3-{2-[(morpholine-4-carbonyl)-amino]-3-phenylmethanesulfonyl-propionylamino}-4-oxo-azetidin-2-yl ester
Database identifiers
- PubChem CID
- 69443596
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 847
Related reactions
2 records
Compound notes
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