(S)-1-[2-(2-benzenesulfonyl-ethyl-BOC-amino)-acetyl]-pyrrolidine-2-carbonitrile

HCID 69033930
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N(CCS(=O)(=O)c1ccccc1)CC(=O)N1CCC[C@H]1C#N
InChIKey
UDVUVRDLSFJHTH-INIZCTEOSA-N
Molecular formula
C20H27N3O5S
Average molar mass
421.5 g/mol

Names & identifiers

Preferred name
(S)-1-[2-(2-benzenesulfonyl-ethyl-BOC-amino)-acetyl]-pyrrolidine-2-carbonitrile
IUPAC
tert-butyl N-[2-(benzenesulfonyl)ethyl]-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]carbamate

Names & synonyms

SCHEMBL4413572UDVUVRDLSFJHTH-INIZCTEOSA-N(S)-1-[2-(2-benzenesulfonyl-ethyl-BOC-amino)-acetyl]-pyrrolidine-2-carbonitrile

Database identifiers

PubChem CID
69033930

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
116 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
29

Related reactions

1 records
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Compound notes

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