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

Systemtic Name: 5-[(5-methylpyridin-2-yl)carbamoylamino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoic acid Openeye Name: 5-[(5-methyl-2-pyridyl)carbamoylamino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoic acid CAS Name: 6-(1,16-dioxohexadecylamino)-5-[[[(5-methyl-2-pyridinyl)amino]-oxomethyl]amino]-6-oxohexanoic acid IUPAC Name: 5-[(5-methylpyridin-2-yl)carbamoylamino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoic acid Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-[(5-methyl-2-pyridyl)carbamoylamino]hexanoic acid Formula: C29H46N4O6 MolecularWeight: 546.69874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

Isomeric SMILES

CC1=CN=C(C=C1)NC(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

InChI

InChI=1S/C29H46N4O6/c1-23-19-20-25(30-22-23)32-29(39)31-24(16-15-18-27(36)37)28(38)33-26(35)17-13-11-9-7-5-3-2-4-6-8-10-12-14-21-34/h19-22,24H,2-18H2,1H3,(H,36,37)(H,33,35,38)(H2,30,31,32,39)