Sch 34343
Basic information
- CAS
95415-91-1- Standard SMILES
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCOC(N)=O)S[C@H]12- InChIKey
LVCPLOQIOKEULU-GLDDHUGJSA-N- Molecular formula
- C11H14N2O6S2
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.02932852
Overview
structure given in first source; RN given refers to (5R-(5alpha,6alpha))-isomer
Names & identifiers
- Preferred name
- Sch 34343
- IUPAC
- (5R,6S)-3-(2-carbamoyloxyethylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Names & synonyms
Sch 34343Sch-3434395415-91-1SCH34343WM2TR07VX3SCH-34343 FREE ACIDDTXSID60873378RefChem:181730DTXCID308208944-Thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-((aminocarbonyl)oxy)ethyl)thio)-6-((1R)-1-hydroxyethyl)-7-oxo-, monosodium salt, (5R,6S)-SH1V2HHM4V2-Carbamoyloxyethylthio-6-(1-hydroxyethyl)penem-3-carboxylic acid
Show more names
(5R,6S)-3-(2-carbamoyloxyethylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid4-Thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-((aminocarbonyl)oxy)ethyl)thio)-6-(1-hydroxyethyl)-7-oxo-, monosodium salt, (5R-(5alpha,6alpha))-UNII-WM2TR07VX3CHEMBL306713SCHEMBL10396007(5R,6S)-3-((2-((AMINOCARBONYL)OXY)ETHYL)THIO)-6-((1R)-1-HYDROXYETHYL)-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPT-2-ENE-2-CARBOXYLIC ACID(5R,6S)-3-{[2-(Carbamoyloxy)ethyl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid4-THIA-1-AZABICYCLO(3.2.0)HEPT-2-ENE-2-CARBOXYLIC ACID, 3-((2-((AMINOCARBONYL)OXY)ETHYL)THIO)-6-((1R)-1-HYDROXYETHYL)-7-OXO-, (5R,6S)-
Database identifiers
- CAS
95415-91-1- PubChem CID
- 72445
- DTXSID
DTXSID60873378- ChEMBL
CHEMBL306713- UNII
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 523
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Related reactions
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Compound notes
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