2-[3-(carboxymethylamino)-3-oxidanylidene-propyl]-4-oxidanyl-1-[(E)-16-sulfanylidenehexadec-2-enyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[3-(carboxymethylamino)-3-oxidanylidene-propyl]-4-oxidanyl-1-[(E)-16-sulfanylidenehexadec-2-enyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[3-(carboxymethylamino)-3-oxo-propyl]-4-hydroxy-1-[(E)-16-thioxohexadec-2-enyl]cyclohexanecarboxylic acid CAS Name: 2-[3-(carboxymethylamino)-3-oxopropyl]-4-hydroxy-1-[(E)-16-sulfanylidenehexadec-2-enyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[3-(carboxymethylamino)-3-oxopropyl]-4-hydroxy-1-[(E)-16-sulfanylidenehexadec-2-enyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[3-(carboxymethylamino)-3-keto-propyl]-4-hydroxy-1-[(E)-16-thioxohexadec-2-enyl]cyclohexanecarboxylic acid Formula: C28H47NO6S MolecularWeight: 525.74088

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1O)CCC(=O)NCC(=O)O)(CC=CCCCCCCCCCCCCC=S)C(=O)O

Isomeric SMILES

C1CC(C(CC1O)CCC(=O)NCC(=O)O)(C/C=C/CCCCCCCCCCCCC=S)C(=O)O

InChI

InChI=1S/C28H47NO6S/c30-24-17-19-28(27(34)35,23(21-24)15-16-25(31)29-22-26(32)33)18-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20-36/h11,13,20,23-24,30H,1-10,12,14-19,21-22H2,(H,29,31)(H,32,33)(H,34,35)/b13-11+