2-(octanoylamino)-3-[[2-(octanoylamino)-3-oxidanyl-3-oxidanylidene-propyl]disulfanyl]propanoic acid

Systemtic Name: 2-(octanoylamino)-3-[[2-(octanoylamino)-3-oxidanyl-3-oxidanylidene-propyl]disulfanyl]propanoic acid Openeye Name: 3-[[3-hydroxy-2-(octanoylamino)-3-oxo-propyl]disulfanyl]-2-(octanoylamino)propanoic acid CAS Name: 3-[[3-hydroxy-3-oxo-2-(1-oxooctylamino)propyl]disulfanyl]-2-(1-oxooctylamino)propanoic acid IUPAC Name: 3-[[3-hydroxy-2-(octanoylamino)-3-oxopropyl]disulfanyl]-2-(octanoylamino)propanoic acid Traditional Name: 2-(caprylylamino)-3-[[2-(caprylylamino)-3-hydroxy-3-keto-propyl]disulfanyl]propionic acid Formula: C22H40N2O6S2 MolecularWeight: 492.6928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(CSSCC(C(=O)O)NC(=O)CCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)NC(CSSCC(C(=O)O)NC(=O)CCCCCCC)C(=O)O

InChI

InChI=1S/C22H40N2O6S2/c1-3-5-7-9-11-13-19(25)23-17(21(27)28)15-31-32-16-18(22(29)30)24-20(26)14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)