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

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1-[(E)-hexadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxylic acid Openeye Name: 2-(2-amino-2-oxo-ethyl)sulfanyl-1-[(E)-hexadec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid CAS Name: 2-[(2-amino-2-oxoethyl)thio]-1-[(E)-hexadec-2-enyl]-4-hydroxy-1-cyclohexanecarboxylic acid IUPAC Name: 2-(2-amino-2-oxoethyl)sulfanyl-1-[(E)-hexadec-2-enyl]-4-hydroxycyclohexane-1-carboxylic acid Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-1-[(E)-hexadec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid Formula: C25H45NO4S MolecularWeight: 455.6941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H45NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-25(24(29)30)18-16-21(27)19-22(25)31-20-23(26)28/h14-15,21-22,27H,2-13,16-20H2,1H3,(H2,26,28)(H,29,30)/b15-14+