7-[(Phenoxyacetyl)amino]-8-oxo-3-(dibutoxyphosphinyl)-1-azabicyclo[4.2.0]-oct-2-ene-2-carboxylic acid (diphenylmethyl)ester

HCID 54435624
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCOP(=O)(OCCCC)C1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)COc3ccccc3)C2CC1
InChIKey
WKNLFCDQBTZJCN-UHFFFAOYSA-N
Molecular formula
C37H43N2O8P
Average molar mass
674.7 g/mol

Names & identifiers

Preferred name
7-[(Phenoxyacetyl)amino]-8-oxo-3-(dibutoxyphosphinyl)-1-azabicyclo[4.2.0]-oct-2-ene-2-carboxylic acid (diphenylmethyl)ester
IUPAC
benzhydryl 3-dibutoxyphosphoryl-8-oxo-7-[(2-phenoxyacetyl)amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Names & synonyms

WKNLFCDQBTZJCN-UHFFFAOYSA-N7-[(Phenoxyacetyl)amino]-8-oxo-3-(dibutoxyphosphinyl)-1-azabicyclo[4.2.0]-oct-2-ene-2-carboxylic acid (diphenylmethyl)ester

Database identifiers

PubChem CID
54435624

Properties

Computed structural properties

XLogP
6
Topological polar surface area
120 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
18
Heavy atoms
48

Related reactions

2 records
New reaction record

Linked notes

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7-[(Phenoxyacetyl)amino]-8-oxo-3-(dibutoxyphosphinyl)-1-azabicyclo[4.2.0]-oct-2-ene-2-carboxylic acid (diphenylmethyl)ester (HCID 54435624)｜Huagongshe