4-(1-adamantyloxy)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(1-adamantyloxy)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(1-adamantyloxy)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: 4-(1-adamantyloxy)-1-(3-mercapto-2-methyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(1-adamantyloxy)-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-(1-adamantyloxy)-1-(3-mercapto-2-methyl-propanoyl)proline Formula: C19H29NO4S MolecularWeight: 367.50286

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)OC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(CS)C(=O)N1CC(CC1C(=O)O)OC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H29NO4S/c1-11(10-25)17(21)20-9-15(5-16(20)18(22)23)24-19-6-12-2-13(7-19)4-14(3-12)8-19/h11-16,25H,2-10H2,1H3,(H,22,23)