Basic information
- Standard SMILES
CC(=O)NC(=O)OC[C@]1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1- InChIKey
JUVYUPMAXQZFHV-HRKISDNUSA-N- Molecular formula
- C26H26N4O9S
- Average molar mass
- 570.6 g/mol
- Monoisotopic mass
- 570.14204959
Names & identifiers
- Preferred name
- (2R,3S,5R,6R) 2-(N-Acetyl)carbamoyloxymethyl-2-methyl-6-phenylacetamidopenam-3 carboxylic Acid p-Nitrobenzyl Ester
- IUPAC
- (4-nitrophenyl)methyl (2S,3R,5R,6R)-3-(acetylcarbamoyloxymethyl)-3-methyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Names & synonyms
SCHEMBL11001683JUVYUPMAXQZFHV-HRKISDNUSA-N(2R,3S,5R,6R) 2-(N-Acetyl)carbamoyloxymethyl-2-methyl-6-phenylacetamidopenam-3 carboxylic Acid p-Nitrobenzyl Ester(2R,3S,5R,6R) 2-(N-Acetyl)carbamoyloxymethyl-2-methyl-6-phenylacetamidopenam-3-carboxylic Acid p-Nitrobenzyl Ester
Database identifiers
- PubChem CID
- 12817543
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 202 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
4 records
Compound notes
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