2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5-oxooxolan-2-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

HCID 141579547
Substructure searchFind similar structures

Basic information

Standard SMILES
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(C3CCC(=O)O3)CS[C@H]12)c1csc(N)n1
InChIKey
JZZXRDBFAPJKSQ-DDAOSXMTSA-N
Molecular formula
C23H27N5O9S2
Average molar mass
581.6 g/mol

Names & identifiers

Preferred name
2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5-oxooxolan-2-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC
2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5-oxooxolan-2-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Database identifiers

PubChem CID
141579547

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
242 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
14
Rotatable bonds
11
Heavy atoms
39

Related reactions

1 records
New reaction record

Linked notes

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