5-(isoquinolin-3-ylcarbonylamino)-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoic acid

Systemtic Name: 5-(isoquinolin-3-ylcarbonylamino)-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoic acid Openeye Name: 5-(isoquinoline-3-carbonylamino)-6-oxo-6-(16-oxohexadecanoylamino)hexanoic acid CAS Name: 6-(1,16-dioxohexadecylamino)-5-[[3-isoquinolinyl(oxo)methyl]amino]-6-oxohexanoic acid IUPAC Name: 5-(isoquinoline-3-carbonylamino)-6-oxo-6-(16-oxohexadecanoylamino)hexanoic acid Traditional Name: 5-(isoquinoline-3-carbonylamino)-6-keto-6-(16-ketohexadecanoylamino)hexanoic acid Formula: C32H45N3O6 MolecularWeight: 567.7162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

InChI

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