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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(O)(P(=O)(O)O)P(=O)(O)O)NC(=O)C(C)C1=CC=C(C=C1)CC(C)C

Isomeric SMILES

CCCCC(C(O)(P(=O)(O)O)P(=O)(O)O)NC(=O)C(C)C1=CC=C(C=C1)CC(C)C

InChI

InChI=1S/C19H33NO8P2/c1-5-6-7-17(19(22,29(23,24)25)30(26,27)28)20-18(21)14(4)16-10-8-15(9-11-16)12-13(2)3/h8-11,13-14,17,22H,5-7,12H2,1-4H3,(H,20,21)(H2,23,24,25)(H2,26,27,28)