Sultamisilin
Basic information
- CAS
94935-63-4- Standard SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O.CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O- InChIKey
XBKAJGGBQLRIFJ-OUPOZMNRSA-N- Molecular formula
- C24H30N4O9S2
- Average molar mass
- 582.7 g/mol
- Monoisotopic mass
- 582.14542089
Names & identifiers
- Preferred name
- Sultamisilin
- IUPAC
- (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Names & synonyms
(2S,5R)-3,3-Dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide compound with (2S,5R,6R)-6-((R)-2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidSultamisilinSCHEMBL1587511
Database identifiers
- CAS
94935-63-4- PubChem CID
- 465585
Properties
Computed structural properties
- Topological polar surface area
- 238 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,010
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Compound notes
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