6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(quinolin-2-ylcarbamoylamino)hexanoic acid

Systemtic Name: 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(quinolin-2-ylcarbamoylamino)hexanoic acid Openeye Name: 6-oxo-6-(16-oxohexadecanoylamino)-5-(2-quinolylcarbamoylamino)hexanoic acid CAS Name: 6-(1,16-dioxohexadecylamino)-6-oxo-5-[[oxo-(2-quinolinylamino)methyl]amino]hexanoic acid IUPAC Name: 6-oxo-6-(16-oxohexadecanoylamino)-5-(quinolin-2-ylcarbamoylamino)hexanoic acid Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-(2-quinolylcarbamoylamino)hexanoic acid Formula: C32H46N4O6 MolecularWeight: 582.73084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H46N4O6/c37-24-15-11-9-7-5-3-1-2-4-6-8-10-12-20-29(38)36-31(41)27(19-16-21-30(39)40)34-32(42)35-28-23-22-25-17-13-14-18-26(25)33-28/h13-14,17-18,22-24,27H,1-12,15-16,19-21H2,(H,39,40)(H,36,38,41)(H2,33,34,35,42)