N-[4-methoxybenzenesulfonyl]-(D)-asparagine methyl ester

HCID 70060643
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Basic information

Standard SMILES
COC(=O)[C@@H](CC(N)=O)NS(=O)(=O)c1ccc(OC)cc1
InChIKey
YNBFURKARPJYKO-SNVBAGLBSA-N
Molecular formula
C12H16N2O6S
Average molar mass
316.33 g/mol

Names & identifiers

Preferred name
N-[4-methoxybenzenesulfonyl]-(D)-asparagine methyl ester
IUPAC
methyl (2R)-4-amino-2-[(4-methoxyphenyl)sulfonylamino]-4-oxobutanoate

Names & synonyms

SCHEMBL7344292YNBFURKARPJYKO-SNVBAGLBSA-NN-[4-methoxybenzenesulfonyl]-(D)-asparagine methyl ester

Database identifiers

PubChem CID
70060643

Properties

Computed structural properties

XLogP
-0.3
Topological polar surface area
133 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
21

Related reactions

4 records
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Compound notes

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