(2R,3S,5R,6R) 2-(N-Acetyl)carbamoyloxymethyl-2-methyl-6-phenylacetamidopenam-3 carboxylic Acid p-Nitrobenzyl Ester

HCID 12817543

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

Related reactions

4 records

Compound notes

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