1-[(Ethoxycarbonyl)oxy]ethyl 6-(2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

HCID 2282
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Basic information

Standard SMILES
CCOC(=O)OC(C)OC(=O)C1N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1(C)C
InChIKey
PFOLLRNADZZWEX-UHFFFAOYSA-N
Molecular formula
C21H27N3O7S
Average molar mass
465.5 g/mol
Monoisotopic mass
465.1569712

Names & identifiers

Preferred name
1-[(Ethoxycarbonyl)oxy]ethyl 6-(2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC
1-ethoxycarbonyloxyethyl 6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Names & synonyms

CHEMBL1625790DTXSID20860547DB-0518701-[(Ethoxycarbonyl)oxy]ethyl 6-(2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate1-[(Ethoxycarbonyl)oxy]ethyl 6-[2-amino(phenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Database identifiers

PubChem CID
2282
DTXSID
DTXSID20860547
ChEMBL
CHEMBL1625790

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
163 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
10
Heavy atoms
32

Related reactions

2 records
New reaction record

Linked notes

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