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

Systemtic Name: sodium [(2S)-2-(nonanoylamino)-2-phenyl-ethyl] dihydrogen phosphate Openeye Name: sodium [(2S)-2-(nonanoylamino)-2-phenyl-ethyl] dihydrogen phosphate CAS Name: sodium [(2S)-2-(1-oxononylamino)-2-phenylethyl] dihydrogen phosphate IUPAC Name: sodium [(2S)-2-(nonanoylamino)-2-phenylethyl] dihydrogen phosphate Traditional Name: sodium [(2S)-2-(pelargonylamino)-2-phenyl-ethyl] dihydrogen phosphate Formula: C34H56N2NaO10P2+ MolecularWeight: 737.753132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C17H28NO5P.Na/c2*1-2-3-4-5-6-10-13-17(19)18-16(14-23-24(20,21)22)15-11-8-7-9-12-15;/h2*7-9,11-12,16H,2-6,10,13-14H2,1H3,(H,18,19)(H2,20,21,22);/q;;+1/t2*16-;/m11./s1