[4-[3-[4-(2-methylpropyl)phenyl]propanoylamino]-1-oxidanyl-4-phosphono-butan-2-yl]phosphonic acid

Systemtic Name: [4-[3-[4-(2-methylpropyl)phenyl]propanoylamino]-1-oxidanyl-4-phosphono-butan-2-yl]phosphonic acid Openeye Name: [4-hydroxy-1-[3-(4-isobutylphenyl)propanoylamino]-3-phosphono-butyl]phosphonic acid CAS Name: [1-hydroxy-4-[[3-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]-4-phosphonobutan-2-yl]phosphonic acid IUPAC Name: [1-hydroxy-4-[3-[4-(2-methylpropyl)phenyl]propanoylamino]-4-phosphonobutan-2-yl]phosphonic acid Traditional Name: [4-hydroxy-1-[3-(4-isobutylphenyl)propanoylamino]-3-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)CCC(=O)NC(CC(CO)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)CCC(=O)NC(CC(CO)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C17H29NO8P2/c1-12(2)9-14-5-3-13(4-6-14)7-8-16(20)18-17(28(24,25)26)10-15(11-19)27(21,22)23/h3-6,12,15,17,19H,7-11H2,1-2H3,(H,18,20)(H2,21,22,23)(H2,24,25,26)