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

Systemtic Name: 2-[(3R)-1-[5-(2-adamantylcarbamoyl)-6-methylsulfanyl-pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[(3R)-1-[5-(2-adamantylcarbamoyl)-6-methylsulfanyl-2-pyridyl]pyrrolidin-3-yl]acetic acid CAS Name: 2-[(3R)-1-[5-[(2-adamantylamino)-oxomethyl]-6-(methylthio)-2-pyridinyl]-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[(3R)-1-[5-(2-adamantylcarbamoyl)-6-methylsulfanylpyridin-2-yl]pyrrolidin-3-yl]acetic acid Traditional Name: 2-[(3R)-1-[5-(2-adamantylcarbamoyl)-6-(methylthio)-2-pyridyl]pyrrolidin-3-yl]acetic acid Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-30-23-18(2-3-19(24-23)26-5-4-13(12-26)11-20(27)28)22(29)25-21-16-7-14-6-15(9-16)10-17(21)8-14/h2-3,13-17,21H,4-12H2,1H3,(H,25,29)(H,27,28)/t13-,14?,15?,16?,17?,21?/m1/s1