5-[2-(11-propan-2-ylsulfanylundecanoylamino)phenyl]sulfanylpentanoic acid

Systemtic Name: 5-[2-(11-propan-2-ylsulfanylundecanoylamino)phenyl]sulfanylpentanoic acid Openeye Name: 5-[2-(11-isopropylsulfanylundecanoylamino)phenyl]sulfanylpentanoic acid CAS Name: 5-[[2-[[1-oxo-11-(propan-2-ylthio)undecyl]amino]phenyl]thio]pentanoic acid IUPAC Name: 5-[2-(11-propan-2-ylsulfanylundecanoylamino)phenyl]sulfanylpentanoic acid Traditional Name: 5-[[2-[11-(isopropylthio)undecanoylamino]phenyl]thio]valeric acid Formula: C25H41NO3S2 MolecularWeight: 467.72794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCCCCCCCCCC(=O)NC1=CC=CC=C1SCCCCC(=O)O

Isomeric SMILES

CC(C)SCCCCCCCCCCC(=O)NC1=CC=CC=C1SCCCCC(=O)O

InChI

InChI=1S/C25H41NO3S2/c1-21(2)30-19-13-8-6-4-3-5-7-9-17-24(27)26-22-15-10-11-16-23(22)31-20-14-12-18-25(28)29/h10-11,15-16,21H,3-9,12-14,17-20H2,1-2H3,(H,26,27)(H,28,29)