7-[4-methyl-2-(11-propan-2-ylsulfanylundecanoylamino)phenyl]sulfanylheptanoic acid

Systemtic Name: 7-[4-methyl-2-(11-propan-2-ylsulfanylundecanoylamino)phenyl]sulfanylheptanoic acid Openeye Name: 7-[2-(11-isopropylsulfanylundecanoylamino)-4-methyl-phenyl]sulfanylheptanoic acid CAS Name: 7-[[4-methyl-2-[[1-oxo-11-(propan-2-ylthio)undecyl]amino]phenyl]thio]heptanoic acid IUPAC Name: 7-[4-methyl-2-(11-propan-2-ylsulfanylundecanoylamino)phenyl]sulfanylheptanoic acid Traditional Name: 7-[[2-[11-(isopropylthio)undecanoylamino]-4-methyl-phenyl]thio]enanthic acid Formula: C28H47NO3S2 MolecularWeight: 509.80768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCCCCCCC(=O)O)NC(=O)CCCCCCCCCCSC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCCCCCCC(=O)O)NC(=O)CCCCCCCCCCSC(C)C

InChI

InChI=1S/C28H47NO3S2/c1-23(2)33-20-14-10-7-5-4-6-8-12-16-27(30)29-25-22-24(3)18-19-26(25)34-21-15-11-9-13-17-28(31)32/h18-19,22-23H,4-17,20-21H2,1-3H3,(H,29,30)(H,31,32)