2-[(11-acetamido-12-oxidanyl-12-oxidanylidene-dodecyl)sulfanylmethyl]-3-oxidanylidene-cyclopentane-1-carboxylic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCCCCCCCSCC1C(CCC1=O)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(CCCCCCCCCCSCC1C(CCC1=O)C(=O)O)C(=O)O

InChI

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