ethyl 3-[[3-ethoxy-2-(octanoylamino)-3-oxidanylidene-propyl]disulfanyl]-2-(heptylamino)propanoate

Systemtic Name: ethyl 3-[[3-ethoxy-2-(octanoylamino)-3-oxidanylidene-propyl]disulfanyl]-2-(heptylamino)propanoate Openeye Name: ethyl 3-[[3-ethoxy-2-(octanoylamino)-3-oxo-propyl]disulfanyl]-2-(heptylamino)propanoate CAS Name: 3-[[3-ethoxy-3-oxo-2-(1-oxooctylamino)propyl]disulfanyl]-2-(heptylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-ethoxy-2-(octanoylamino)-3-oxopropyl]disulfanyl]-2-(heptylamino)propanoate Traditional Name: 3-[[2-(caprylylamino)-3-ethoxy-3-keto-propyl]disulfanyl]-2-(heptylamino)propionic acid ethyl ester Formula: C25H48N2O5S2 MolecularWeight: 520.78902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(CSSCC(C(=O)OCC)NCCCCCCC)C(=O)OCC

Isomeric SMILES

CCCCCCCC(=O)NC(CSSCC(C(=O)OCC)NCCCCCCC)C(=O)OCC

InChI

InChI=1S/C25H48N2O5S2/c1-5-9-11-13-15-17-23(28)27-22(25(30)32-8-4)20-34-33-19-21(24(29)31-7-3)26-18-16-14-12-10-6-2/h21-22,26H,5-20H2,1-4H3,(H,27,28)