2-[2-[(6E)-3-(carboxymethyl)-2-oxidanyl-6-tetradecylidene-cyclohexyl]sulfanylethanoylamino]pentanoic acid

Systemtic Name: 2-[2-[(6E)-3-(carboxymethyl)-2-oxidanyl-6-tetradecylidene-cyclohexyl]sulfanylethanoylamino]pentanoic acid Openeye Name: 2-[[2-[(6E)-3-(carboxymethyl)-2-hydroxy-6-tetradecylidene-cyclohexyl]sulfanylacetyl]amino]pentanoic acid CAS Name: 2-[[2-[[(6E)-3-(carboxymethyl)-2-hydroxy-6-tetradecylidenecyclohexyl]thio]-1-oxoethyl]amino]pentanoic acid IUPAC Name: 2-[[2-[(6E)-3-(carboxymethyl)-2-hydroxy-6-tetradecylidenecyclohexyl]sulfanylacetyl]amino]pentanoic acid Traditional Name: 2-[[2-[[(6E)-3-(carboxymethyl)-2-hydroxy-6-tetradecylidene-cyclohexyl]thio]acetyl]amino]valeric acid Formula: C29H51NO6S MolecularWeight: 541.78334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=C1CCC(C(C1SCC(=O)NC(CCC)C(=O)O)O)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C29H51NO6S/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-22-18-19-23(20-26(32)33)27(34)28(22)37-21-25(31)30-24(16-4-2)29(35)36/h17,23-24,27-28,34H,3-16,18-21H2,1-2H3,(H,30,31)(H,32,33)(H,35,36)/b22-17+