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

Systemtic Name: [4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [1-hydroxy-4-[2-(4-isobutylphenyl)propanoylamino]-1-phosphono-butyl]phosphonic acid CAS Name: [1-hydroxy-4-[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]-1-phosphonobutyl]phosphonic acid IUPAC Name: [1-hydroxy-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-1-phosphonobutyl]phosphonic acid Traditional Name: [1-hydroxy-4-[2-(4-isobutylphenyl)propanoylamino]-1-phosphono-butyl]phosphonic acid Formula: C17H29NO8P2 MolecularWeight: 437.361582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO8P2/c1-12(2)11-14-5-7-15(8-6-14)13(3)16(19)18-10-4-9-17(20,27(21,22)23)28(24,25)26/h5-8,12-13,20H,4,9-11H2,1-3H3,(H,18,19)(H2,21,22,23)(H2,24,25,26)