(3R)-1-[5-(2-adamantylcarbamoyl)-6-methylsulfanyl-pyridin-2-yl]pyrrolidine-3-carboxylic acid

Systemtic Name: (3R)-1-[5-(2-adamantylcarbamoyl)-6-methylsulfanyl-pyridin-2-yl]pyrrolidine-3-carboxylic acid Openeye Name: (3R)-1-[5-(2-adamantylcarbamoyl)-6-methylsulfanyl-2-pyridyl]pyrrolidine-3-carboxylic acid CAS Name: (3R)-1-[5-[(2-adamantylamino)-oxomethyl]-6-(methylthio)-2-pyridinyl]-3-pyrrolidinecarboxylic acid IUPAC Name: (3R)-1-[5-(2-adamantylcarbamoyl)-6-methylsulfanylpyridin-2-yl]pyrrolidine-3-carboxylic acid Traditional Name: (3R)-1-[5-(2-adamantylcarbamoyl)-6-(methylthio)-2-pyridyl]pyrrolidine-3-carboxylic acid Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=N1)N2CCC(C2)C(=O)O)C(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CSC1=C(C=CC(=N1)N2CC[C@H](C2)C(=O)O)C(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H29N3O3S/c1-29-21-17(2-3-18(23-21)25-5-4-14(11-25)22(27)28)20(26)24-19-15-7-12-6-13(9-15)10-16(19)8-12/h2-3,12-16,19H,4-11H2,1H3,(H,24,26)(H,27,28)/t12?,13?,14-,15?,16?,19?/m1/s1