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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(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/C17H29NO8P2/c1-5-15(17(20,27(21,22)23)28(24,25)26)18-16(19)12(4)14-8-6-13(7-9-14)10-11(2)3/h6-9,11-12,15,20H,5,10H2,1-4H3,(H,18,19)(H2,21,22,23)(H2,24,25,26)