7-{[2-Amino-2-(1-benzothiophen-3-yl)-1-hydroxyethylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Basic information
- CAS
92218-37-6- Standard SMILES
CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(N)c3csc4ccccc34)[C@H]2SC1- InChIKey
UZIXWKQHCIOPLV-QQGYXAEISA-N- Molecular formula
- C18H17N3O4S2
- Average molar mass
- 403.5 g/mol
- Monoisotopic mass
- 403.06604838
Names & identifiers
- Preferred name
- 7-{[2-Amino-2-(1-benzothiophen-3-yl)-1-hydroxyethylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- IUPAC
- (6R,7R)-7-[[2-amino-2-(1-benzothiophen-3-yl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
DTXSID10919295(6R,7R)-7-{[2-Amino-2-(1-benzothiophen-3-yl)-1-hydroxyethylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid7-{[2-Amino-2-(1-benzothiophen-3-yl)-1-hydroxyethylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Database identifiers
- CAS
92218-37-6- PubChem CID
- 146356
- DTXSID
DTXSID10919295
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 713
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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