Basic information
- CAS
72615-19-1- Standard SMILES
CC(=O)NCCSC1=C(C(=O)O)N2C(=O)[C@H](C(C)C)[C@H]2C1- InChIKey
SUMQHCXEWHRKGG-MWLCHTKSSA-N- Molecular formula
- C14H20N2O4S
- Average molar mass
- 312.39 g/mol
- Monoisotopic mass
- 312.1143783
Overview
PS-6 is a member of carbapenems.
Names & identifiers
- Preferred name
- (5R,6R)-3-((2-(Acetylamino)ethyl)thio)-6-(1-methylethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid
- IUPAC
- (5R,6R)-3-(2-acetamidoethylsulfanyl)-7-oxo-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
- English name
- antibiotic PS 6
- Molecular formula
- C14H20N2O4S
- Molecular weight
- 0
Names & synonyms
Antibiotic PS 672615-19-1Antibiotic PS-6DTXSID60222943(5R,6R)-3-(2-acetamidoethylsulfanyl)-7-oxo-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-(acetylamino)ethyl)thio)-6-(1-methylethyl)-7-oxo-, (5R-cis)-5R,6R-3-(2-acetamido)ethylthio-6-isopropyl-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid(5R,6R)-3-(2-acetamidoethylsulfanyl)-7-oxo-6-propan-2-yl-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acidRefChem:906203DTXCID90145434(5R,6R)-3-((2-(Acetylamino)ethyl)thio)-6-(1-methylethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acidPS-6
Show more names
(5R,6R)-3-[2-(Acetylamino)ethylthio]-6-isopropyl-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylic acid(5R,6R)-3-[2-(Acetylamino)ethylthio]-6-(1-methylethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Antibiotic PS6SCHEMBL29365365CHEBI:81038(5R,6R)-3-[(2-acetamidoethyl)sulfanyl]-7-oxo-6-(propan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-(acetylamino)ethenyl)thio)-6-(1-methylethyl)-7-oxo-, (5R-cis)-C17371Q27154997
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 515
Chemistry & industry
Additional notes
DefinitionChEBI: PS-6 is a member of carbapenems.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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