2-[2-(carboxymethylamino)-2-oxidanylidene-ethyl]sulfanyl-1-[(E)-hexadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxylic acid

Systemtic Name: 2-[2-(carboxymethylamino)-2-oxidanylidene-ethyl]sulfanyl-1-[(E)-hexadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxylic acid Openeye Name: 2-[2-(carboxymethylamino)-2-oxo-ethyl]sulfanyl-1-[(E)-hexadec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid CAS Name: 2-[[2-(carboxymethylamino)-2-oxoethyl]thio]-1-[(E)-hexadec-2-enyl]-4-hydroxy-1-cyclohexanecarboxylic acid IUPAC Name: 2-[2-(carboxymethylamino)-2-oxoethyl]sulfanyl-1-[(E)-hexadec-2-enyl]-4-hydroxycyclohexane-1-carboxylic acid Traditional Name: 2-[[2-(carboxymethylamino)-2-keto-ethyl]thio]-1-[(E)-hexadec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid Formula: C27H47NO6S MolecularWeight: 513.73018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CCC1(CCC(CC1SCC(=O)NCC(=O)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/CC1(CCC(CC1SCC(=O)NCC(=O)O)O)C(=O)O

InChI

InChI=1S/C27H47NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-27(26(33)34)18-16-22(29)19-23(27)35-21-24(30)28-20-25(31)32/h14-15,22-23,29H,2-13,16-21H2,1H3,(H,28,30)(H,31,32)(H,33,34)/b15-14+