5-[(5-chloranylpyridin-2-yl)carbamoylamino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoic acid

Systemtic Name: 5-[(5-chloranylpyridin-2-yl)carbamoylamino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoic acid Openeye Name: 5-[(5-chloro-2-pyridyl)carbamoylamino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoic acid CAS Name: 5-[[[(5-chloro-2-pyridinyl)amino]-oxomethyl]amino]-6-(1,16-dioxohexadecylamino)-6-oxohexanoic acid IUPAC Name: 5-[(5-chloropyridin-2-yl)carbamoylamino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoic acid Traditional Name: 5-[(5-chloro-2-pyridyl)carbamoylamino]-6-keto-6-(16-ketohexadecanoylamino)hexanoic acid Formula: C28H43ClN4O6 MolecularWeight: 567.11722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1Cl)NC(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

Isomeric SMILES

C1=CC(=NC=C1Cl)NC(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

InChI

InChI=1S/C28H43ClN4O6/c29-22-18-19-24(30-21-22)32-28(39)31-23(15-14-17-26(36)37)27(38)33-25(35)16-12-10-8-6-4-2-1-3-5-7-9-11-13-20-34/h18-21,23H,1-17H2,(H,36,37)(H,33,35,38)(H2,30,31,32,39)