2-azanyl-3-[(6E)-3-(2-carboxyethyl)-2-oxidanyl-6-tetradecylidene-cyclohexyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[(6E)-3-(2-carboxyethyl)-2-oxidanyl-6-tetradecylidene-cyclohexyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[(6E)-3-(2-carboxyethyl)-2-hydroxy-6-tetradecylidene-cyclohexyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[(6E)-3-(2-carboxyethyl)-2-hydroxy-6-tetradecylidenecyclohexyl]thio]propanoic acid IUPAC Name: 2-amino-3-[(6E)-3-(2-carboxyethyl)-2-hydroxy-6-tetradecylidenecyclohexyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[(6E)-3-(2-carboxyethyl)-2-hydroxy-6-tetradecylidene-cyclohexyl]thio]propionic acid Formula: C26H47NO5S MolecularWeight: 485.72008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=C1CCC(C(C1SCC(C(=O)O)N)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/1\CCC(C(C1SCC(C(=O)O)N)O)CCC(=O)O

InChI

InChI=1S/C26H47NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-16-15-20(17-18-23(28)29)24(30)25(21)33-19-22(27)26(31)32/h14,20,22,24-25,30H,2-13,15-19,27H2,1H3,(H,28,29)(H,31,32)/b21-14+