sodium [(2S)-2-(decanoylamino)-2-phenyl-ethyl] dihydrogen phosphate

Systemtic Name: sodium [(2S)-2-(decanoylamino)-2-phenyl-ethyl] dihydrogen phosphate Openeye Name: sodium [(2S)-2-(decanoylamino)-2-phenyl-ethyl] dihydrogen phosphate CAS Name: sodium [(2S)-2-(1-oxodecylamino)-2-phenylethyl] dihydrogen phosphate IUPAC Name: sodium [(2S)-2-(decanoylamino)-2-phenylethyl] dihydrogen phosphate Traditional Name: sodium [(2S)-2-(caprylamino)-2-phenyl-ethyl] dihydrogen phosphate Formula: C36H60N2NaO10P2+ MolecularWeight: 765.806292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H30NO5P.Na/c2*1-2-3-4-5-6-7-11-14-18(20)19-17(15-24-25(21,22)23)16-12-9-8-10-13-16;/h2*8-10,12-13,17H,2-7,11,14-15H2,1H3,(H,19,20)(H2,21,22,23);/q;;+1/t2*17-;/m11./s1