[3-(2-Carbamoyl-ethyl)-4-oxo-2-(5-phenylethynyl-thiophen-2-yl)-thiazolidin-5-yl]-acetic acid

HCID 86758382
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Basic information

Standard SMILES
NC(=O)CCN1C(=O)C(CC(=O)O)SC1c1ccc(C#Cc2ccccc2)s1
InChIKey
MBLGVFYEPVNAGG-UHFFFAOYSA-N
Molecular formula
C20H18N2O4S2
Average molar mass
414.5 g/mol

Names & identifiers

Preferred name
[3-(2-Carbamoyl-ethyl)-4-oxo-2-(5-phenylethynyl-thiophen-2-yl)-thiazolidin-5-yl]-acetic acid
IUPAC
2-[3-(3-amino-3-oxopropyl)-4-oxo-2-[5-(2-phenylethynyl)thiophen-2-yl]-1,3-thiazolidin-5-yl]acetic acid

Names & synonyms

SCHEMBL6979810MBLGVFYEPVNAGG-UHFFFAOYSA-N[3-(2-Carbamoyl-ethyl)-4-oxo-2-(5-phenylethynyl-thiophen-2-yl)-thiazolidin-5-yl]-acetic acid

Database identifiers

PubChem CID
86758382

Properties

Computed structural properties

XLogP
2
Topological polar surface area
154 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
28

Related reactions

3 records
New reaction record

Linked notes

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