6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-6-oxidanylidene-5-(quinolin-3-ylcarbonylamino)hexanoic acid sulfate

Systemtic Name: 6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-6-oxidanylidene-5-(quinolin-3-ylcarbonylamino)hexanoic acid sulfate Openeye Name: 6-[1-(2-amino-2-oxo-ethyl)tetradecoxy]-6-oxo-5-(quinoline-3-carbonylamino)hexanoic acid sulfate CAS Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-6-oxo-5-[[oxo(3-quinolinyl)methyl]amino]hexanoic acid sulfate IUPAC Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-6-oxo-5-(quinoline-3-carbonylamino)hexanoic acid sulfate Traditional Name: 6-[1-(2-amino-2-keto-ethyl)tetradecoxy]-6-keto-5-(quinoline-3-carbonylamino)hexanoic acid sulfate Formula: C32H47N3O10S-2 MolecularWeight: 665.79468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)C1=CC2=CC=CC=C2N=C1.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)C1=CC2=CC=CC=C2N=C1.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C32H47N3O6.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-17-26(22-29(33)36)41-32(40)28(19-15-20-30(37)38)35-31(39)25-21-24-16-13-14-18-27(24)34-23-25;1-5(2,3)4/h13-14,16,18,21,23,26,28H,2-12,15,17,19-20,22H2,1H3,(H2,33,36)(H,35,39)(H,37,38);(H2,1,2,3,4)/p-2