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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C(=O)O)OP(=O)(CC(C)C)ONC(=O)CCC1=CC=CC=C1)N

Isomeric SMILES

CCCCCC(C(C(=O)O)OP(=O)(CC(C)C)ONC(=O)CCC1=CC=CC=C1)N

InChI

InChI=1S/C21H35N2O6P/c1-4-5-7-12-18(22)20(21(25)26)28-30(27,15-16(2)3)29-23-19(24)14-13-17-10-8-6-9-11-17/h6,8-11,16,18,20H,4-5,7,12-15,22H2,1-3H3,(H,23,24)(H,25,26)