N-[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]-4-methyl-2-(2-phenoxyethanoylamino)pentanamide

Systemtic Name: N-[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]-4-methyl-2-(2-phenoxyethanoylamino)pentanamide Openeye Name: N-[1-[2-(2-furylmethylsulfanyl)acetyl]pentyl]-4-methyl-2-[(2-phenoxyacetyl)amino]pentanamide CAS Name: N-[1-(2-furanylmethylthio)-2-oxoheptan-3-yl]-4-methyl-2-[(1-oxo-2-phenoxyethyl)amino]pentanamide IUPAC Name: N-[1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-4-methyl-2-[(2-phenoxyacetyl)amino]pentanamide Traditional Name: N-[1-[2-(2-furfurylthio)acetyl]pentyl]-4-methyl-2-[(2-phenoxyacetyl)amino]valeramide Formula: C26H36N2O5S MolecularWeight: 488.63944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)CSCC1=CC=CO1)NC(=O)C(CC(C)C)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)CSCC1=CC=CO1)NC(=O)C(CC(C)C)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C26H36N2O5S/c1-4-5-13-22(24(29)18-34-17-21-12-9-14-32-21)28-26(31)23(15-19(2)3)27-25(30)16-33-20-10-7-6-8-11-20/h6-12,14,19,22-23H,4-5,13,15-18H2,1-3H3,(H,27,30)(H,28,31)