[(2S)-2-(octanoylamino)-3-(octylamino)-3-oxidanylidene-propyl] hydrogen phosphate

Systemtic Name: [(2S)-2-(octanoylamino)-3-(octylamino)-3-oxidanylidene-propyl] hydrogen phosphate Openeye Name: [(2S)-2-(octanoylamino)-3-(octylamino)-3-oxo-propyl] hydrogen phosphate CAS Name: [(2S)-3-(octylamino)-3-oxo-2-(1-oxooctylamino)propyl] hydrogen phosphate IUPAC Name: [(2S)-2-(octanoylamino)-3-(octylamino)-3-oxopropyl] hydrogen phosphate Traditional Name: [(2S)-2-(caprylylamino)-3-keto-3-(octylamino)propyl] hydrogen phosphate Formula: C19H38N2O6P- MolecularWeight: 421.488581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C(COP(=O)(O)[O-])NC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCNC(=O)[C@H](COP(=O)(O)[O-])NC(=O)CCCCCCC

InChI

InChI=1S/C19H39N2O6P/c1-3-5-7-9-11-13-15-20-19(23)17(16-27-28(24,25)26)21-18(22)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,20,23)(H,21,22)(H2,24,25,26)/p-1/t17-/m0/s1