[6-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-1-oxidanyl-1-phosphono-hexyl]phosphonic acid

Systemtic Name: [6-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-1-oxidanyl-1-phosphono-hexyl]phosphonic acid Openeye Name: [1-hydroxy-6-[2-(4-isobutylphenyl)propanoylamino]-1-phosphono-hexyl]phosphonic acid CAS Name: [1-hydroxy-6-[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]-1-phosphonohexyl]phosphonic acid IUPAC Name: [1-hydroxy-6-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-1-phosphonohexyl]phosphonic acid Traditional Name: [1-hydroxy-6-[2-(4-isobutylphenyl)propanoylamino]-1-phosphono-hexyl]phosphonic acid Formula: C19H33NO8P2 MolecularWeight: 465.414742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)NCCCCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)NCCCCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C19H33NO8P2/c1-14(2)13-16-7-9-17(10-8-16)15(3)18(21)20-12-6-4-5-11-19(22,29(23,24)25)30(26,27)28/h7-10,14-15,22H,4-6,11-13H2,1-3H3,(H,20,21)(H2,23,24,25)(H2,26,27,28)