4-[5-methylsulfanyl-2-(12-phosphonododecanoylamino)pyridin-3-yl]oxybutanoic acid

Systemtic Name: 4-[5-methylsulfanyl-2-(12-phosphonododecanoylamino)pyridin-3-yl]oxybutanoic acid Openeye Name: 4-[[5-methylsulfanyl-2-(12-phosphonododecanoylamino)-3-pyridyl]oxy]butanoic acid CAS Name: 4-[[5-(methylthio)-2-[(1-oxo-12-phosphonododecyl)amino]-3-pyridinyl]oxy]butanoic acid IUPAC Name: 4-[5-methylsulfanyl-2-(12-phosphonododecanoylamino)pyridin-3-yl]oxybutanoic acid Traditional Name: 4-[[5-(methylthio)-2-(12-phosphonododecanoylamino)-3-pyridyl]oxy]butyric acid Formula: C22H37N2O7PS MolecularWeight: 504.577141

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CN=C(C(=C1)OCCCC(=O)O)NC(=O)CCCCCCCCCCCP(=O)(O)O

Isomeric SMILES

CSC1=CN=C(C(=C1)OCCCC(=O)O)NC(=O)CCCCCCCCCCCP(=O)(O)O

InChI

InChI=1S/C22H37N2O7PS/c1-33-18-16-19(31-14-11-13-21(26)27)22(23-17-18)24-20(25)12-9-7-5-3-2-4-6-8-10-15-32(28,29)30/h16-17H,2-15H2,1H3,(H,26,27)(H,23,24,25)(H2,28,29,30)