5-[3-methyl-2-[11-(2-methylpropylsulfonyl)undecanoylamino]phenyl]sulfanylpentanoic acid

Systemtic Name: 5-[3-methyl-2-[11-(2-methylpropylsulfonyl)undecanoylamino]phenyl]sulfanylpentanoic acid Openeye Name: 5-[2-(11-isobutylsulfonylundecanoylamino)-3-methyl-phenyl]sulfanylpentanoic acid CAS Name: 5-[[3-methyl-2-[[11-(2-methylpropylsulfonyl)-1-oxoundecyl]amino]phenyl]thio]pentanoic acid IUPAC Name: 5-[3-methyl-2-[11-(2-methylpropylsulfonyl)undecanoylamino]phenyl]sulfanylpentanoic acid Traditional Name: 5-[[2-(11-isobutylsulfonylundecanoylamino)-3-methyl-phenyl]thio]valeric acid Formula: C27H45NO5S2 MolecularWeight: 527.7799

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)SCCCCC(=O)O)NC(=O)CCCCCCCCCCS(=O)(=O)CC(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)SCCCCC(=O)O)NC(=O)CCCCCCCCCCS(=O)(=O)CC(C)C

InChI

InChI=1S/C27H45NO5S2/c1-22(2)21-35(32,33)20-13-9-7-5-4-6-8-10-17-25(29)28-27-23(3)15-14-16-24(27)34-19-12-11-18-26(30)31/h14-16,22H,4-13,17-21H2,1-3H3,(H,28,29)(H,30,31)