[(2R)-2-(octanoylamino)-2-phenyl-ethyl] dihydrogen phosphate; sodium

Systemtic Name: [(2R)-2-(octanoylamino)-2-phenyl-ethyl] dihydrogen phosphate; sodium Openeye Name: [(2R)-2-(octanoylamino)-2-phenyl-ethyl] dihydrogen phosphate; sodium CAS Name: [(2R)-2-(1-oxooctylamino)-2-phenylethyl] dihydrogen phosphate; sodium IUPAC Name: [(2R)-2-(octanoylamino)-2-phenylethyl] dihydrogen phosphate; sodium Traditional Name: [(2R)-2-(caprylylamino)-2-phenyl-ethyl] dihydrogen phosphate; sodium Formula: C16H26NNa2O5P MolecularWeight: 389.334641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(COP(=O)(O)O)C1=CC=CC=C1.[Na].[Na]

Isomeric SMILES

CCCCCCCC(=O)N[C@@H](COP(=O)(O)O)C1=CC=CC=C1.[Na].[Na]

InChI

InChI=1S/C16H26NO5P.2Na/c1-2-3-4-5-9-12-16(18)17-15(13-22-23(19,20)21)14-10-7-6-8-11-14;;/h6-8,10-11,15H,2-5,9,12-13H2,1H3,(H,17,18)(H2,19,20,21);;/t15-;;/m0../s1