[(1S,2R)-2-(octanoylamino)-1,2-diphenyl-ethyl] dihydrogen phosphate

Systemtic Name: [(1S,2R)-2-(octanoylamino)-1,2-diphenyl-ethyl] dihydrogen phosphate Openeye Name: [(1S,2R)-2-(octanoylamino)-1,2-diphenyl-ethyl] dihydrogen phosphate CAS Name: [(1S,2R)-2-(1-oxooctylamino)-1,2-diphenylethyl] dihydrogen phosphate IUPAC Name: [(1S,2R)-2-(octanoylamino)-1,2-diphenylethyl] dihydrogen phosphate Traditional Name: [(1S,2R)-2-(caprylylamino)-1,2-diphenyl-ethyl] dihydrogen phosphate Formula: C22H30NO5P MolecularWeight: 419.451061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(C1=CC=CC=C1)C(C2=CC=CC=C2)OP(=O)(O)O

Isomeric SMILES

CCCCCCCC(=O)N[C@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)OP(=O)(O)O

InChI

InChI=1S/C22H30NO5P/c1-2-3-4-5-12-17-20(24)23-21(18-13-8-6-9-14-18)22(28-29(25,26)27)19-15-10-7-11-16-19/h6-11,13-16,21-22H,2-5,12,17H2,1H3,(H,23,24)(H2,25,26,27)/t21-,22+/m1/s1