Sodium (1S,5R,6S)-6-[1(R)-hydroxy-ethyl]-1-methyl-2-(3-methyl-2,2-dioxo-2,3-dihydro-2-thia-1,3-diaza-cyclopenta[b]naphthalen-1-yl-methyl)-carbapen-2-em-3-carboxylate
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Basic information
- Standard SMILES
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(CN3c4cc5ccccc5cc4N(C)S3(=O)=O)[C@H](C)[C@H]12.[Na+]- InChIKey
PMGCIMXANYXMRS-IVIBGAIESA-M- Molecular formula
- C22H22N3NaO6S
- Average molar mass
- 479.5 g/mol
Names & identifiers
- Preferred name
- Sodium (1S,5R,6S)-6-[1(R)-hydroxy-ethyl]-1-methyl-2-(3-methyl-2,2-dioxo-2,3-dihydro-2-thia-1,3-diaza-cyclopenta[b]naphthalen-1-yl-methyl)-carbapen-2-em-3-carboxylate
- IUPAC
- sodium (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(1-methyl-2,2-dioxobenzo[f][2,1,3]benzothiadiazol-3-yl)methyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Names & synonyms
PMGCIMXANYXMRS-IVIBGAIESA-MSodium (1S,5R,6S)-6-[1(R)-hydroxy-ethyl]-1-methyl-2-(3-methyl-2,2-dioxo-2,3-dihydro-2-thia-1,3-diaza-cyclopenta[b]naphthalen-1-yl-methyl)-carbapen-2-em-3-carboxylate
Database identifiers
- PubChem CID
- 23701550
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 981
Related reactions
1 records
Compound notes
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