8-azanyl-2-[2-methylpropyl-(3-phenylpropanoylamino)oxy-phosphoryl]oxy-octanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CP(=O)(OC(CCCCCCN)C(=O)O)ONC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CC(C)CP(=O)(OC(CCCCCCN)C(=O)O)ONC(=O)CCC1=CC=CC=C1

InChI

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