4-[5-methoxy-2-(10-sulfodecanoylamino)pyridin-3-yl]oxybutanoic acid

Systemtic Name: 4-[5-methoxy-2-(10-sulfodecanoylamino)pyridin-3-yl]oxybutanoic acid Openeye Name: 4-[[5-methoxy-2-(10-sulfodecanoylamino)-3-pyridyl]oxy]butanoic acid CAS Name: 4-[[5-methoxy-2-[(1-oxo-10-sulfodecyl)amino]-3-pyridinyl]oxy]butanoic acid IUPAC Name: 4-[5-methoxy-2-(10-sulfodecanoylamino)pyridin-3-yl]oxybutanoic acid Traditional Name: 4-[[5-methoxy-2-(10-sulfodecanoylamino)-3-pyridyl]oxy]butyric acid Formula: C20H32N2O8S MolecularWeight: 460.54168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(N=C1)NC(=O)CCCCCCCCCS(=O)(=O)O)OCCCC(=O)O

Isomeric SMILES

COC1=CC(=C(N=C1)NC(=O)CCCCCCCCCS(=O)(=O)O)OCCCC(=O)O

InChI

InChI=1S/C20H32N2O8S/c1-29-16-14-17(30-12-9-11-19(24)25)20(21-15-16)22-18(23)10-7-5-3-2-4-6-8-13-31(26,27)28/h14-15H,2-13H2,1H3,(H,24,25)(H,21,22,23)(H,26,27,28)