2-azanyl-3-[3-[(4E)-2-oxidanyl-4-tetradecylidene-cyclohexyl]propanoyloxysulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-[(4E)-2-oxidanyl-4-tetradecylidene-cyclohexyl]propanoyloxysulfanyl]propanoic acid Openeye Name: 2-amino-3-[3-[(4E)-2-hydroxy-4-tetradecylidene-cyclohexyl]propanoyloxysulfanyl]propanoic acid CAS Name: 2-amino-3-[[3-[(4E)-2-hydroxy-4-tetradecylidenecyclohexyl]-1-oxopropoxy]thio]propanoic acid IUPAC Name: 2-amino-3-[3-[(4E)-2-hydroxy-4-tetradecylidenecyclohexyl]propanoyloxysulfanyl]propanoic acid Traditional Name: 2-amino-3-[3-[(4E)-2-hydroxy-4-tetradecylidene-cyclohexyl]propanoyloxythio]propionic acid Formula: C26H47NO5S MolecularWeight: 485.72008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=C1CCC(C(C1)O)CCC(=O)OSCC(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCC/C=C/1\CCC(C(C1)O)CCC(=O)OSCC(C(=O)O)N

InChI

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