6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-5-[(5-methylpyridin-2-yl)carbamoylamino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-5-[(5-methylpyridin-2-yl)carbamoylamino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[1-(2-amino-2-oxo-ethyl)tetradecoxy]-5-[(5-methyl-2-pyridyl)carbamoylamino]-6-oxo-hexanoic acid CAS Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-5-[[[(5-methyl-2-pyridinyl)amino]-oxomethyl]amino]-6-oxohexanoic acid IUPAC Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-5-[(5-methylpyridin-2-yl)carbamoylamino]-6-oxohexanoic acid Traditional Name: 6-[1-(2-amino-2-keto-ethyl)tetradecoxy]-6-keto-5-[(5-methyl-2-pyridyl)carbamoylamino]hexanoic acid Formula: C29H48N4O6 MolecularWeight: 548.71462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)NC1=NC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)NC1=NC=C(C=C1)C

InChI

InChI=1S/C29H48N4O6/c1-3-4-5-6-7-8-9-10-11-12-13-15-23(20-25(30)34)39-28(37)24(16-14-17-27(35)36)32-29(38)33-26-19-18-22(2)21-31-26/h18-19,21,23-24H,3-17,20H2,1-2H3,(H2,30,34)(H,35,36)(H2,31,32,33,38)