About: 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-(acetylamino)ethyl)thio)-6-(1-hydroxyethyl)-7-oxo-, (5R-(5-alpha,6-alpha(R*)))-     Goto   Sponge   NotDistinct   Permalink

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chemical compound

AttributesValues
rdf:type
description
  • химическое соединение (ru)
  • chemical compound (en)
  • composé chimique (fr)
  • compositum chemicum (la)
  • chemische Verbindung (de)
  • chemische verbinding (nl)
  • compuestu químicu (ast)
  • хімічна сполука (uk)
  • রাসায়নিক যৌগ (bn)
rdfs:label
  • 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-(acetylamino)ethyl)thio)-6-(1-hydroxyethyl)-7-oxo-, (5R-(5-alpha,6-alpha(R*)))- (en)
skos:prefLabel
  • 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-(acetylamino)ethyl)thio)-6-(1-hydroxyethyl)-7-oxo-, (5R-(5-alpha,6-alpha(R*)))- (en)
name
  • 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-(acetylamino)ethyl)thio)-6-(1-hydroxyethyl)-7-oxo-, (5R-(5-alpha,6-alpha(R*)))- (en)
isomeric SMILES
stereoisomer of
isomeric SMILES
  • C[C@H]([C@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC(=O)C)O
stereoisomer of
instance of
instance of
subclass of
subclass of
found in taxon
found in taxon
UniChem compound ID
CAS Registry Number
canonical SMILES
InChI
InChIKey
chemical formula
DSSTox substance ID
PubChem CID
DSSTOX compound identifier
PubChem CID
UniChem compound ID
  • 32050950
CAS Registry Number
  • 63701-32-6
canonical SMILES
  • CC(=O)NCCSC1=C(C(=O)O)N2C(=O)C(C(C)O)C2C1
InChI
  • InChI=1S/C13H18N2O5S/c1-6(16)10-8-5-9(21-4-3-14-7(2)17)11(13(19)20)15(8)12(10)18/h6,8,10,16H,3-5H2,1-2H3,(H,14,17)(H,19,20)/t6-,8-,10+/m1/s1
InChIKey
  • VUDXUIMGYZQRKK-YNEQXMIYSA-N
chemical formula
  • C₁₃H₁₈N₂O₅S
DSSTox substance ID
  • DTXSID30980023
PubChem CID
  • 3047539
DSSTOX compound identifier
  • DTXCID301407303
mass
mass
is about of
is stereoisomer of of
is stereoisomer of of
is main subject of
is main subject of
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