(2S,4R)-2-(1-cyano-cyclopropylcarbamoyl)-4-(2-ethyl-phenylsulfanyl)-pyrrolidine-1-carboxylic acid t-butyl ester

HCID 66770693
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Basic information

Standard SMILES
CCc1ccccc1S[C@@H]1C[C@@H](C(=O)NC2(C#N)CC2)N(C(=O)OC(C)(C)C)C1
InChIKey
YIKYWPRMTIOLTQ-SJORKVTESA-N
Molecular formula
C22H29N3O3S
Average molar mass
415.6 g/mol

Names & identifiers

Preferred name
(2S,4R)-2-(1-cyano-cyclopropylcarbamoyl)-4-(2-ethyl-phenylsulfanyl)-pyrrolidine-1-carboxylic acid t-butyl ester
IUPAC
tert-butyl (2S,4R)-2-[(1-cyanocyclopropyl)carbamoyl]-4-(2-ethylphenyl)sulfanylpyrrolidine-1-carboxylate

Names & synonyms

SCHEMBL695664YIKYWPRMTIOLTQ-SJORKVTESA-N(2S,4R)-2-(1-cyano-cyclopropylcarbamoyl)-4-(2-ethyl-phenylsulfanyl)-pyrrolidine-1-carboxylic acid t-butyl ester

Database identifiers

PubChem CID
66770693

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
108 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
29

Related reactions

1 records
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Compound notes

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