6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(quinolin-3-ylcarbonylamino)hexanoic acid; sulfuric acid

Systemtic Name: 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(quinolin-3-ylcarbonylamino)hexanoic acid; sulfuric acid Openeye Name: 6-oxo-6-(16-oxohexadecanoylamino)-5-(quinoline-3-carbonylamino)hexanoic acid; sulfuric acid CAS Name: 6-(1,16-dioxohexadecylamino)-6-oxo-5-[[oxo(3-quinolinyl)methyl]amino]hexanoic acid; sulfuric acid IUPAC Name: 6-oxo-6-(16-oxohexadecanoylamino)-5-(quinoline-3-carbonylamino)hexanoic acid; sulfuric acid Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-(quinoline-3-carbonylamino)hexanoic acid; sulfuric acid Formula: C32H47N3O10S MolecularWeight: 665.79468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)C(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O.OS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)C(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O.OS(=O)(=O)O

InChI

InChI=1S/C32H45N3O6.H2O4S/c36-22-15-11-9-7-5-3-1-2-4-6-8-10-12-20-29(37)35-32(41)28(19-16-21-30(38)39)34-31(40)26-23-25-17-13-14-18-27(25)33-24-26;1-5(2,3)4/h13-14,17-18,22-24,28H,1-12,15-16,19-21H2,(H,34,40)(H,38,39)(H,35,37,41);(H2,1,2,3,4)