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

Systemtic Name: N-[1-cyclohexyl-4-(furan-2-ylmethylsulfanyl)-3-oxidanylidene-butan-2-yl]-4-methyl-2-(2-phenoxyethanoylamino)pentanamide Openeye Name: N-[1-(cyclohexylmethyl)-3-(2-furylmethylsulfanyl)-2-oxo-propyl]-4-methyl-2-[(2-phenoxyacetyl)amino]pentanamide CAS Name: N-[1-cyclohexyl-4-(2-furanylmethylthio)-3-oxobutan-2-yl]-4-methyl-2-[(1-oxo-2-phenoxyethyl)amino]pentanamide IUPAC Name: N-[1-cyclohexyl-4-(furan-2-ylmethylsulfanyl)-3-oxobutan-2-yl]-4-methyl-2-[(2-phenoxyacetyl)amino]pentanamide Traditional Name: N-[1-(cyclohexylmethyl)-3-(2-furfurylthio)-2-keto-propyl]-4-methyl-2-[(2-phenoxyacetyl)amino]valeramide Formula: C29H40N2O5S MolecularWeight: 528.7033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1CCCCC1)C(=O)CSCC2=CC=CO2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1CCCCC1)C(=O)CSCC2=CC=CO2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C29H40N2O5S/c1-21(2)16-26(30-28(33)18-36-23-12-7-4-8-13-23)29(34)31-25(17-22-10-5-3-6-11-22)27(32)20-37-19-24-14-9-15-35-24/h4,7-9,12-15,21-22,25-26H,3,5-6,10-11,16-20H2,1-2H3,(H,30,33)(H,31,34)