6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-6-oxidanylidene-5-(quinolin-2-ylcarbamoylamino)hexanoic acid

Systemtic Name: 6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-6-oxidanylidene-5-(quinolin-2-ylcarbamoylamino)hexanoic acid Openeye Name: 6-[1-(2-amino-2-oxo-ethyl)tetradecoxy]-6-oxo-5-(2-quinolylcarbamoylamino)hexanoic acid CAS Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-6-oxo-5-[[oxo-(2-quinolinylamino)methyl]amino]hexanoic acid IUPAC Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-6-oxo-5-(quinolin-2-ylcarbamoylamino)hexanoic acid Traditional Name: 6-[1-(2-amino-2-keto-ethyl)tetradecoxy]-6-keto-5-(2-quinolylcarbamoylamino)hexanoic acid Formula: C32H48N4O6 MolecularWeight: 584.74672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)NC1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)NC1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C32H48N4O6/c1-2-3-4-5-6-7-8-9-10-11-12-17-25(23-28(33)37)42-31(40)27(19-15-20-30(38)39)35-32(41)36-29-22-21-24-16-13-14-18-26(24)34-29/h13-14,16,18,21-22,25,27H,2-12,15,17,19-20,23H2,1H3,(H2,33,37)(H,38,39)(H2,34,35,36,41)