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(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-[(5-oxo-2H-furan-2-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

HCID 88512331
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Nc1nc(/C(=N/O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CC4C=CC(=O)O4)CS[C@H]23)cs1
InChIKey
VQMKOLQOUHORHI-MFNXSJJPSA-N
Molecular formula
C17H15N5O7S2
Average molar mass
465.5 g/mol
Monoisotopic mass
465.04129018

Names & identifiers

Preferred name
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-[(5-oxo-2H-furan-2-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-[(5-oxo-2H-furan-2-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Names & synonyms

SCHEMBL9766227

Database identifiers

PubChem CID
88512331

Properties

Computed structural propertiesFilling in

XLogP
-0.5
Topological polar surface area
238 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
12
Rotatable bonds
6
Heavy atoms
31
Formal charge
0
Complexity
936

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Related reactions

2 records
New reaction record
HRID 973876 reaction equation
HRID 973876As productuspto-grants-1991_11
HRID 973877 reaction equation
HRID 973877As productuspto-grants-1991_11

Compound notes

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