2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-1-[(E)-hexadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxylic acid

Systemtic Name: 2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-1-[(E)-hexadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxylic acid Openeye Name: 2-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-1-[(E)-hexadec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid CAS Name: 2-[(2-amino-3-hydroxy-3-oxopropyl)thio]-1-[(E)-hexadec-2-enyl]-4-hydroxy-1-cyclohexanecarboxylic acid IUPAC Name: 2-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-1-[(E)-hexadec-2-enyl]-4-hydroxycyclohexane-1-carboxylic acid Traditional Name: 2-[(2-amino-3-hydroxy-3-keto-propyl)thio]-1-[(E)-hexadec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid Formula: C26H47NO5S MolecularWeight: 485.72008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H47NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26(25(31)32)18-16-21(28)19-23(26)33-20-22(27)24(29)30/h14-15,21-23,28H,2-13,16-20,27H2,1H3,(H,29,30)(H,31,32)/b15-14+