Epithienamycin
Basic information
- CAS
64090-99-9- Standard SMILES
CC(O)C1C(=O)N2C(C(=O)O)=C(SCCN)CC12- InChIKey
WKDDRNSBRWANNC-UHFFFAOYSA-N- Molecular formula
- C11H16N2O4S
- Average molar mass
- 272.32 g/mol
- Monoisotopic mass
- 272.08307817
Overview
Epithienamycin has been reported in Streptomyces cattleya with data available.
Names & identifiers
- Preferred name
- Epithienamycin
- IUPAC
- 3-(2-aminoethylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Names & synonyms
EpithienamycinRefChem:9210543-(2-aminoethylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid3-(2-azaniumylethylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylate64090-99-9SCHEMBL10033983DTXSID401117448(5R,6S)-3-(2-aminoethylthio)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid3-[(2-AMINOETHYL)SULFANYL]-6-(1-HYDROXYETHYL)-7-OXO-1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID3-[(2-Aminoethyl)thio]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Database identifiers
- CAS
64090-99-9- PubChem CID
- 124000
- DTXSID
DTXSID401117448- Nikkaji
- J3.023.455C
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 423
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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