2-[(4E)-3-[2-(carboxymethylamino)-2-oxidanylidene-ethyl]sulfanyl-2-oxidanyl-4-tetradecylidene-cyclohexyl]ethanoic acid

Systemtic Name: 2-[(4E)-3-[2-(carboxymethylamino)-2-oxidanylidene-ethyl]sulfanyl-2-oxidanyl-4-tetradecylidene-cyclohexyl]ethanoic acid Openeye Name: 2-[(4E)-3-[2-(carboxymethylamino)-2-oxo-ethyl]sulfanyl-2-hydroxy-4-tetradecylidene-cyclohexyl]acetic acid CAS Name: 2-[(4E)-3-[[2-(carboxymethylamino)-2-oxoethyl]thio]-2-hydroxy-4-tetradecylidenecyclohexyl]acetic acid IUPAC Name: 2-[(4E)-3-[2-(carboxymethylamino)-2-oxoethyl]sulfanyl-2-hydroxy-4-tetradecylidenecyclohexyl]acetic acid Traditional Name: 2-[(4E)-3-[[2-(carboxymethylamino)-2-keto-ethyl]thio]-2-hydroxy-4-tetradecylidene-cyclohexyl]acetic acid Formula: C26H45NO6S MolecularWeight: 499.7036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=C1CCC(C(C1SCC(=O)NCC(=O)O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/1\CCC(C(C1SCC(=O)NCC(=O)O)O)CC(=O)O

InChI

InChI=1S/C26H45NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-16-21(17-23(29)30)25(33)26(20)34-19-22(28)27-18-24(31)32/h14,21,25-26,33H,2-13,15-19H2,1H3,(H,27,28)(H,29,30)(H,31,32)/b20-14+