6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(quinolin-8-ylsulfonylamino)hexanoic acid

Systemtic Name: 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(quinolin-8-ylsulfonylamino)hexanoic acid Openeye Name: 6-oxo-6-(16-oxohexadecanoylamino)-5-(8-quinolylsulfonylamino)hexanoic acid CAS Name: 6-(1,16-dioxohexadecylamino)-6-oxo-5-(8-quinolinylsulfonylamino)hexanoic acid IUPAC Name: 6-oxo-6-(16-oxohexadecanoylamino)-5-(quinolin-8-ylsulfonylamino)hexanoic acid Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-(8-quinolylsulfonylamino)hexanoic acid Formula: C31H45N3O7S MolecularWeight: 603.7699

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O)N=CC=C2

InChI

InChI=1S/C31H45N3O7S/c35-24-13-11-9-7-5-3-1-2-4-6-8-10-12-21-28(36)33-31(39)26(19-15-22-29(37)38)34-42(40,41)27-20-14-17-25-18-16-23-32-30(25)27/h14,16-18,20,23-24,26,34H,1-13,15,19,21-22H2,(H,37,38)(H,33,36,39)