Zofenopril Impurity 4

HCID 391525

Basic information

Standard SMILES
COC(=O)[C@@H]1C[C@@H](OS(=O)(=O)c2ccc(C)cc2)CN1C(=O)OCc1ccccc1
InChIKey
CRGZVZQOSILHGM-MJGOQNOKSA-N
Molecular formula
C21H23NO7S
Average molar mass
433.5 g/mol

Names & identifiers

Preferred name
Zofenopril Impurity 4
IUPAC
1-O-benzyl 2-O-methyl (2S,4R)-4-(4-methylphenyl)sulfonyloxypyrrolidine-1,2-dicarboxylate

Names & synonyms

57653-38-0NSC690773Zofenopril Impurity 4SCHEMBL5764432CRGZVZQOSILHGM-MJGOQNOKSA-N1-Benzyl 2-methyl (2S,4R)-4-(tosyloxy)pyrrolidine-1,2-dicarboxylateNSC-690773N-carbobenzyloxy-trans-4-tosyloxy-L-proline, methyl ester(2S,4R)-1-benzyloxycarbonyl-4-(p-toluenesulfonyloxy)proline methyl ester1-[(phenylmethoxy)carbonyl]-trans-4-tosyloxy-L-proline, methyl ester

Database identifiers

PubChem CID
391525

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
108 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
30

Related reactions

6 records

Compound notes

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