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calcium 1-phenylsulfanylpyrrolidine-2-carboxylic acid

calcium 1-phenylsulfanylpyrrolidine-2-carboxylic acid

Systemtic Name:calcium 1-phenylsulfanylpyrrolidine-2-carboxylic acid
Openeye Name:calcium 1-phenylsulfanylpyrrolidine-2-carboxylic acid
CAS Name:calcium 1-(phenylthio)-2-pyrrolidinecarboxylic acid
IUPAC Name:calcium 1-phenylsulfanylpyrrolidine-2-carboxylic acid
Traditional Name:calcium 1-(phenylthio)proline
Formula: C11H13CaNO2S+2
MolecularWeight: 263.36942
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)SC2=CC=CC=C2)C(=O)O.[Ca+2]


Isomeric SMILES

C1CC(N(C1)SC2=CC=CC=C2)C(=O)O.[Ca+2]


InChI

InChI=1S/C11H13NO2S.Ca/c13-11(14)10-7-4-8-12(10)15-9-5-2-1-3-6-9;/h1-3,5-6,10H,4,7-8H2,(H,13,14);/q;+2


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