8-azanyl-2-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]oxy-octanoic acid

Systemtic Name: 8-azanyl-2-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]oxy-octanoic acid Openeye Name: 8-amino-2-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxy-octanoic acid CAS Name: 8-amino-2-[hydroxy-[2-methyl-1-[(1-oxo-3-phenylpropyl)amino]propyl]phosphoryl]oxyoctanoic acid IUPAC Name: 8-amino-2-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxyoctanoic acid Traditional Name: 8-amino-2-[[1-(hydrocinnamoylamino)-2-methyl-propyl]-hydroxy-phosphoryl]oxy-caprylic acid Formula: C21H35N2O6P MolecularWeight: 442.486161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC(=O)CCC1=CC=CC=C1)P(=O)(O)OC(CCCCCCN)C(=O)O

Isomeric SMILES

CC(C)C(NC(=O)CCC1=CC=CC=C1)P(=O)(O)OC(CCCCCCN)C(=O)O

InChI

InChI=1S/C21H35N2O6P/c1-16(2)20(23-19(24)14-13-17-10-6-5-7-11-17)30(27,28)29-18(21(25)26)12-8-3-4-9-15-22/h5-7,10-11,16,18,20H,3-4,8-9,12-15,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)