Basic information
- Standard SMILES
C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(S[C@H]3C[C@@H](C(=O)N(C)C)N(C(=O)OCc4ccc([N+](=O)[O-])cc4)C3)[C@H](C)[C@H]12- InChIKey
GTSGVZNSTCFKJE-GRTHXMMPSA-N- Molecular formula
- C38H49N5O11SSi
- Average molar mass
- 812 g/mol
- Monoisotopic mass
- 811.2918551
Names & identifiers
- Preferred name
- 4-Nitrobenzyl (1R, 5S,6S)-2-[(2S,4S)-2-dimethylcarbamoyl-1-(4-nitrobenzyloxycarbonyl)-4-pyrrolidinylthio]-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-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Names & synonyms
GTSGVZNSTCFKJE-GRTHXMMPSA-N4-Nitrobenzyl (1R, 5S,6S)-2-[(2S,4S)-2-dimethylcarbamoyl-1-(4-nitrobenzyloxycarbonyl)-4-pyrrolidinylthio]-1-methyl-6-[1(R)-t-butyldimethylsilyloxyethyl]-1-carbapen-2-em-3-carboxylate4-Nitrobenzyl (1R,5S,6S)-2-[(2S,4S)-2-dimethylcarbamoyl-1-(4-nitrobenzyloxycarbonyl)-4-pyrrolidinylthio]-1-methyl-6-[1(R)-t-butyldimethylsilyloxyethyl]-1-carbapen-2-em-3-carboxylate
Database identifiers
- PubChem CID
- 10440416
Properties
Computed structural properties
- Topological polar surface area
- 223 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 14
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,560
Related reactions
5 records
Compound notes
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