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

Systemtic Name: N-[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]-4-methyl-2-(3-phenoxypropanoylamino)pentanamide Openeye Name: N-[1-[2-(2-furylmethylsulfanyl)acetyl]pentyl]-4-methyl-2-(3-phenoxypropanoylamino)pentanamide CAS Name: N-[1-(2-furanylmethylthio)-2-oxoheptan-3-yl]-4-methyl-2-[(1-oxo-3-phenoxypropyl)amino]pentanamide IUPAC Name: N-[1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-4-methyl-2-(3-phenoxypropanoylamino)pentanamide Traditional Name: N-[1-[2-(2-furfurylthio)acetyl]pentyl]-4-methyl-2-(3-phenoxypropanoylamino)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)CCOC2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)CSCC1=CC=CO1)NC(=O)C(CC(C)C)NC(=O)CCOC2=CC=CC=C2

InChI

InChI=1S/C27H38N2O5S/c1-4-5-13-23(25(30)19-35-18-22-12-9-15-33-22)29-27(32)24(17-20(2)3)28-26(31)14-16-34-21-10-7-6-8-11-21/h6-12,15,20,23-24H,4-5,13-14,16-19H2,1-3H3,(H,28,31)(H,29,32)