(2S)-1-[2-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanylethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanylethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]sulfanyl]acetyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]thio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanylacetyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-[[6-(1-adamantyl)-3-cyano-2-pyridyl]thio]acetyl]proline Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=C(C=CC(=N2)C34CC5CC(C3)CC(C5)C4)C#N)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CSC2=C(C=CC(=N2)C34CC5CC(C3)CC(C5)C4)C#N)C(=O)O

InChI

InChI=1S/C23H27N3O3S/c24-12-17-3-4-19(23-9-14-6-15(10-23)8-16(7-14)11-23)25-21(17)30-13-20(27)26-5-1-2-18(26)22(28)29/h3-4,14-16,18H,1-2,5-11,13H2,(H,28,29)/t14?,15?,16?,18-,23?/m0/s1