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

Systemtic Name: 4-(2-adamantyloxy)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(2-adamantyloxy)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: 4-(2-adamantyloxy)-1-(3-mercapto-2-methyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(2-adamantyloxy)-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-(2-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)OC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC(CS)C(=O)N1CC(CC1C(=O)O)OC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C19H29NO4S/c1-10(9-25)18(21)20-8-15(7-16(20)19(22)23)24-17-13-3-11-2-12(5-13)6-14(17)4-11/h10-17,25H,2-9H2,1H3,(H,22,23)