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4-nitrobenzyl (1R, 5S,6S)-2-(2-diethylcarbamoylphenylsulfinyl)-1-methyl-6-[1(R)-t-butyldimethylsilyloxyethyl]-1-carbapen-2-em-3-carboxylate

HCID 11028830
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN(CC)C(=O)c1ccccc1S(=O)C1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H]2[C@H]1C
InChIKey
OBDFVWJAJGLPBW-YNDFXTJRSA-N
Molecular formula
C34H45N3O8SSi
Average molar mass
683.9 g/mol
Monoisotopic mass
683.26966311

Names & identifiers

Preferred name
4-nitrobenzyl (1R, 5S,6S)-2-(2-diethylcarbamoylphenylsulfinyl)-1-methyl-6-[1(R)-t-butyldimethylsilyloxyethyl]-1-carbapen-2-em-3-carboxylate
IUPAC
(4-nitrophenyl)methyl (4R,5S,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[2-(diethylcarbamoyl)phenyl]sulfinyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Names & synonyms

OBDFVWJAJGLPBW-YNDFXTJRSA-N4-nitrobenzyl (1R, 5S,6S)-2-(2-diethylcarbamoylphenylsulfinyl)-1-methyl-6-[1(R)-t-butyldimethylsilyloxyethyl]-1-carbapen-2-em-3-carboxylate4-nitrobenzyl (1R,5S,6S)-2-(2-diethylcarbamoylphenylsulfinyl)-1-methyl-6-[1(R)-t-butyldimethylsilyloxyethyl]-1-carbapen-2-em-3-carboxylate

Database identifiers

PubChem CID
11028830
Nikkaji
J973.215B

Properties

Computed structural properties

Topological polar surface area
158 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
13
Heavy atoms
47
Formal charge
0
Complexity
1,260

Related reactions

17 records
New reaction record
HRID 863347 reaction equation
HRID 863347As reactantuspto-grants-1998_02
HRID 863348 reaction equation
HRID 863348As reactantuspto-grants-1998_02
HRID 863349 reaction equation
HRID 863349As reactantuspto-grants-1998_02
HRID 1490351 reaction equation
HRID 1490351As reactantuspto-grants-1997_10
HRID 1490352 reaction equation
HRID 1490352As reactantuspto-grants-1997_10
HRID 1490353 reaction equation
HRID 1490353As reactantuspto-grants-1997_10
HRID 1490357 reaction equation
HRID 1490357As reactantuspto-grants-1997_10
HRID 1490358 reaction equation
HRID 1490358As reactantuspto-grants-1997_10
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Compound notes

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