2-(11-acetamido-12-oxidanyl-12-oxidanylidene-dodecyl)sulfanyl-1-methyl-3-oxidanylidene-cyclopentane-1-carboxylic acid

Systemtic Name: 2-(11-acetamido-12-oxidanyl-12-oxidanylidene-dodecyl)sulfanyl-1-methyl-3-oxidanylidene-cyclopentane-1-carboxylic acid Openeye Name: 2-(11-acetamido-12-hydroxy-12-oxo-dodecyl)sulfanyl-1-methyl-3-oxo-cyclopentanecarboxylic acid CAS Name: 2-[(11-acetamido-12-hydroxy-12-oxododecyl)thio]-1-methyl-3-oxo-1-cyclopentanecarboxylic acid IUPAC Name: 2-(11-acetamido-12-hydroxy-12-oxododecyl)sulfanyl-1-methyl-3-oxocyclopentane-1-carboxylic acid Traditional Name: 2-[(11-acetamido-12-hydroxy-12-keto-dodecyl)thio]-3-keto-1-methyl-cyclopentanecarboxylic acid Formula: C21H35NO6S MolecularWeight: 429.5707

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCCCCCCCSC1C(=O)CCC1(C)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(CCCCCCCCCCSC1C(=O)CCC1(C)C(=O)O)C(=O)O

InChI

InChI=1S/C21H35NO6S/c1-15(23)22-16(19(25)26)11-9-7-5-3-4-6-8-10-14-29-18-17(24)12-13-21(18,2)20(27)28/h16,18H,3-14H2,1-2H3,(H,22,23)(H,25,26)(H,27,28)