(E)-8-acetyloxy-4-(2,4-dimethyl-3-phosphono-pentan-3-yl)-2-formamido-oct-3-enoic acid

Systemtic Name: (E)-8-acetyloxy-4-(2,4-dimethyl-3-phosphono-pentan-3-yl)-2-formamido-oct-3-enoic acid Openeye Name: (E)-8-acetoxy-2-formamido-4-(1-isopropyl-2-methyl-1-phosphono-propyl)oct-3-enoic acid CAS Name: (E)-8-acetyloxy-4-(2,4-dimethyl-3-phosphonopentan-3-yl)-2-formamido-3-octenoic acid IUPAC Name: (E)-8-acetyloxy-4-(2,4-dimethyl-3-phosphonopentan-3-yl)-2-formamidooct-3-enoic acid Traditional Name: (E)-8-acetoxy-2-formamido-4-(1-isopropyl-2-methyl-1-phosphono-propyl)oct-3-enoic acid Formula: C18H32NO8P MolecularWeight: 421.422341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32NO8P/c1-12(2)18(13(3)4,28(24,25)26)15(8-6-7-9-27-14(5)21)10-16(17(22)23)19-11-20/h10-13,16H,6-9H2,1-5H3,(H,19,20)(H,22,23)(H2,24,25,26)/b15-10+