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

Systemtic Name: 2-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-1-[(E)-hexadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxylic acid Openeye Name: 2-(3-amino-3-oxo-propyl)sulfanyl-1-[(E)-hexadec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid CAS Name: 2-[(3-amino-3-oxopropyl)thio]-1-[(E)-hexadec-2-enyl]-4-hydroxy-1-cyclohexanecarboxylic acid IUPAC Name: 2-(3-amino-3-oxopropyl)sulfanyl-1-[(E)-hexadec-2-enyl]-4-hydroxycyclohexane-1-carboxylic acid Traditional Name: 2-[(3-amino-3-keto-propyl)thio]-1-[(E)-hexadec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid Formula: C26H47NO4S MolecularWeight: 469.72068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CCC1(CCC(CC1SCCC(=O)N)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/CC1(CCC(CC1SCCC(=O)N)O)C(=O)O

InChI

InChI=1S/C26H47NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26(25(30)31)19-16-22(28)21-23(26)32-20-17-24(27)29/h14-15,22-23,28H,2-13,16-21H2,1H3,(H2,27,29)(H,30,31)/b15-14+