1-(2-Methyl-3-sulfanylpropanoyl)proline

HCID 2550
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(CS)C(=O)N1CCCC1C(=O)O
InChIKey
FAKRSMQSSFJEIM-UHFFFAOYSA-N
Molecular formula
C9H15NO3S
Average molar mass
217.29 g/mol
Monoisotopic mass
217.07726434

Overview

See also: Captopril (annotation moved to).

Names & identifiers

Preferred name
1-(2-Methyl-3-sulfanylpropanoyl)proline
IUPAC
1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid

Names & synonyms

DTXSID308607751-(2-Methyl-3-sulfanylpropanoyl)prolineRefChem:1054012DTXCID302095891-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid1403368-73-9Hipertil1-(D-3-Mercapto-2-methyl-1-oxopropyl)-L-proline(-)-CaptoprilCapozide (Salt/Mix)N-[(S)-3-Mercapto-2-methylpropionyl]-L-prolinecomponent of Captea (Salt/Mix)
Show more names
component of Acezide (Salt/Mix)component of Ecazide (Salt/Mix)1-((2S)-2-Methyl-3-sulfanylpropanoyl)-L-proline #Oprea1_447485CHEMBL27686SCHEMBL678794FAKRSMQSSFJEIM-UHFFFAOYSA-NBDBM610687

Database identifiers

PubChem CID
2550
DTXSID
DTXSID30860775
ChEMBL
CHEMBL27686
Nikkaji
J1.181.968K

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
58.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
14

Experimental & physicochemical properties

DrugsPharmaceuticals
LogP0.42

Related reactions

11 records
New reaction record

Linked notes

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1-(2-Methyl-3-sulfanylpropanoyl)proline (HCID 2550)｜Huagongshe