Methyl 3-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

HCID 23345955
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C1N2C(=O)C(NC(=O)COc3ccccc3)C2SC1(C)CSc1nnc(C)s1
InChIKey
XONPADAURZMYBB-UHFFFAOYSA-N
Molecular formula
C20H22N4O5S3
Average molar mass
494.6 g/mol
Monoisotopic mass
494.07523334

Names & identifiers

Preferred name
Methyl 3-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC
methyl 3-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Names & synonyms

SCHEMBL11473532

Database identifiers

PubChem CID
23345955

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
190 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
9
Heavy atoms
32

Related reactions

1 records
New reaction record

Compound notes

Loading…