2-azanyl-3-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-oxo-2-[2-(2-thienyl)pyrrolidin-1-yl]ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-oxo-2-(2-thiophen-2-yl-1-pyrrolidinyl)ethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-keto-2-[2-(2-thienyl)pyrrolidino]ethyl]thio]propionic acid Formula: C13H18N2O3S2 MolecularWeight: 314.42362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSCC(C(=O)O)N)C2=CC=CS2

Isomeric SMILES

C1CC(N(C1)C(=O)CSCC(C(=O)O)N)C2=CC=CS2

InChI

InChI=1S/C13H18N2O3S2/c14-9(13(17)18)7-19-8-12(16)15-5-1-3-10(15)11-4-2-6-20-11/h2,4,6,9-10H,1,3,5,7-8,14H2,(H,17,18)