(4-nitrophenyl)methyl 3-(2-aminophenyl)sulfanyl-6-[2-[(4-nitrophenyl)methoxycarbonyloxy]propan-2-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

HCID 178459902
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Basic information

Standard SMILES
CC(C)(OC(=O)OCc1ccc([N+](=O)[O-])cc1)C1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(Sc3ccccc3N)CC12
InChIKey
JRIKQTDHCOLLFH-UHFFFAOYSA-N
Molecular formula
C31H28N4O10S
Average molar mass
648.6 g/mol
Monoisotopic mass
648.15261428

Names & identifiers

IUPAC
(4-nitrophenyl)methyl 3-(2-aminophenyl)sulfanyl-6-[2-[(4-nitrophenyl)methoxycarbonyloxy]propan-2-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Database identifiers

PubChem CID
76088666

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
225 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
12
Rotatable bonds
12
Heavy atoms
46

Related reactions

1 records
New reaction record

Compound notes

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