(E)-8-acetyloxy-4-(3-acetyloxypropyl)-2-formamido-5-phosphono-5-propan-2-yl-oct-3-enoic acid

Systemtic Name: (E)-8-acetyloxy-4-(3-acetyloxypropyl)-2-formamido-5-phosphono-5-propan-2-yl-oct-3-enoic acid Openeye Name: (E)-8-acetoxy-4-(3-acetoxypropyl)-2-formamido-5-isopropyl-5-phosphono-oct-3-enoic acid CAS Name: (E)-8-acetyloxy-4-(3-acetyloxypropyl)-2-formamido-5-phosphono-5-propan-2-yl-3-octenoic acid IUPAC Name: (E)-8-acetyloxy-4-(3-acetyloxypropyl)-2-formamido-5-phosphono-5-propan-2-yloct-3-enoic acid Traditional Name: (E)-8-acetoxy-4-(3-acetoxypropyl)-2-formamido-5-isopropyl-5-phosphono-oct-3-enoic acid Formula: C19H32NO10P MolecularWeight: 465.431841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCOC(=O)C)(C(=CC(C(=O)O)NC=O)CCCOC(=O)C)P(=O)(O)O

Isomeric SMILES

CC(C)C(CCCOC(=O)C)(/C(=C/C(C(=O)O)NC=O)/CCCOC(=O)C)P(=O)(O)O

InChI

InChI=1S/C19H32NO10P/c1-13(2)19(31(26,27)28,8-6-10-30-15(4)23)16(7-5-9-29-14(3)22)11-17(18(24)25)20-12-21/h11-13,17H,5-10H2,1-4H3,(H,20,21)(H,24,25)(H2,26,27,28)/b16-11+