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

Systemtic Name: (E)-8-acetyloxy-4-(2,4-dimethyl-3-phosphono-pentan-3-yl)-2-formamido-oct-3-enoate Openeye Name: (E)-8-acetoxy-2-formamido-4-(1-isopropyl-2-methyl-1-phosphono-propyl)oct-3-enoate CAS Name: (E)-8-acetyloxy-4-(2,4-dimethyl-3-phosphonopentan-3-yl)-2-formamido-3-octenoate IUPAC Name: (E)-8-acetyloxy-4-(2,4-dimethyl-3-phosphonopentan-3-yl)-2-formamidooct-3-enoate Traditional Name: (E)-8-acetoxy-2-formamido-4-(1-isopropyl-2-methyl-1-phosphono-propyl)oct-3-enoate Formula: C18H31NO8P- MolecularWeight: 420.414401

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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)/p-1/b15-10+