4-[2-[(2-acetamido-14-fluoranyl-14-sulfo-tetradecanoyl)amino]-3-methyl-phenoxy]butanoic acid

Systemtic Name: 4-[2-[(2-acetamido-14-fluoranyl-14-sulfo-tetradecanoyl)amino]-3-methyl-phenoxy]butanoic acid Openeye Name: 4-[2-[(2-acetamido-14-fluoro-14-sulfo-tetradecanoyl)amino]-3-methyl-phenoxy]butanoic acid CAS Name: 4-[2-[(2-acetamido-14-fluoro-1-oxo-14-sulfotetradecyl)amino]-3-methylphenoxy]butanoic acid IUPAC Name: 4-[2-[(2-acetamido-14-fluoro-14-sulfotetradecanoyl)amino]-3-methylphenoxy]butanoic acid Traditional Name: 4-[2-[(2-acetamido-14-fluoro-14-sulfo-tetradecanoyl)amino]-3-methyl-phenoxy]butyric acid Formula: C27H43FN2O8S MolecularWeight: 574.702323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCCCC(=O)O)NC(=O)C(CCCCCCCCCCCC(F)S(=O)(=O)O)NC(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCCCC(=O)O)NC(=O)C(CCCCCCCCCCCC(F)S(=O)(=O)O)NC(=O)C

InChI

InChI=1S/C27H43FN2O8S/c1-20-14-12-16-23(38-19-13-18-25(32)33)26(20)30-27(34)22(29-21(2)31)15-10-8-6-4-3-5-7-9-11-17-24(28)39(35,36)37/h12,14,16,22,24H,3-11,13,15,17-19H2,1-2H3,(H,29,31)(H,30,34)(H,32,33)(H,35,36,37)