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

Systemtic Name: N-[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]-4-methyl-2-[2-(3-methylphenoxy)ethanoylamino]pentanamide Openeye Name: N-[1-[2-(2-furylmethylsulfanyl)acetyl]pentyl]-4-methyl-2-[[2-(3-methylphenoxy)acetyl]amino]pentanamide CAS Name: N-[1-(2-furanylmethylthio)-2-oxoheptan-3-yl]-4-methyl-2-[[2-(3-methylphenoxy)-1-oxoethyl]amino]pentanamide IUPAC Name: N-[1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-4-methyl-2-[[2-(3-methylphenoxy)acetyl]amino]pentanamide Traditional Name: N-[1-[2-(2-furfurylthio)acetyl]pentyl]-4-methyl-2-[[2-(3-methylphenoxy)acetyl]amino]valeramide Formula: C27H38N2O5S MolecularWeight: 502.66602

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O5S/c1-5-6-12-23(25(30)18-35-17-22-11-8-13-33-22)29-27(32)24(14-19(2)3)28-26(31)16-34-21-10-7-9-20(4)15-21/h7-11,13,15,19,23-24H,5-6,12,14,16-18H2,1-4H3,(H,28,31)(H,29,32)