4-[(E)-1-[3-(carboxymethylamino)-3-oxidanylidene-propyl]sulfanylhexadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxylic acid

Systemtic Name: 4-[(E)-1-[3-(carboxymethylamino)-3-oxidanylidene-propyl]sulfanylhexadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxylic acid Openeye Name: 4-[(E)-1-[3-(carboxymethylamino)-3-oxo-propyl]sulfanylhexadec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid CAS Name: 4-[(E)-1-[[3-(carboxymethylamino)-3-oxopropyl]thio]hexadec-2-enyl]-4-hydroxy-1-cyclohexanecarboxylic acid IUPAC Name: 4-[(E)-1-[3-(carboxymethylamino)-3-oxopropyl]sulfanylhexadec-2-enyl]-4-hydroxycyclohexane-1-carboxylic acid Traditional Name: 4-[(E)-1-[[3-(carboxymethylamino)-3-keto-propyl]thio]hexadec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid Formula: C28H49NO6S MolecularWeight: 527.75676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C1(CCC(CC1)C(=O)O)O)SCCC(=O)NCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C1(CCC(CC1)C(=O)O)O)SCCC(=O)NCC(=O)O

InChI

InChI=1S/C28H49NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(36-21-18-25(30)29-22-26(31)32)28(35)19-16-23(17-20-28)27(33)34/h14-15,23-24,35H,2-13,16-22H2,1H3,(H,29,30)(H,31,32)(H,33,34)/b15-14+