disodium [1-[(R)-(octanoylamino)-phenyl-methyl]cyclobutyl] phosphate

Systemtic Name: disodium [1-[(R)-(octanoylamino)-phenyl-methyl]cyclobutyl] phosphate Openeye Name: disodium [1-[(R)-(octanoylamino)-phenyl-methyl]cyclobutyl] phosphate CAS Name: disodium [1-[(R)-(1-oxooctylamino)-phenylmethyl]cyclobutyl] phosphate IUPAC Name: disodium [1-[(R)-(octanoylamino)-phenylmethyl]cyclobutyl] phosphate Traditional Name: disodium [1-[(R)-(caprylylamino)-phenyl-methyl]cyclobutyl] phosphate Formula: C19H28NNa2O5P MolecularWeight: 427.382621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(C1=CC=CC=C1)C2(CCC2)OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCC(=O)N[C@H](C1=CC=CC=C1)C2(CCC2)OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C19H30NO5P.2Na/c1-2-3-4-5-9-13-17(21)20-18(16-11-7-6-8-12-16)19(14-10-15-19)25-26(22,23)24;;/h6-8,11-12,18H,2-5,9-10,13-15H2,1H3,(H,20,21)(H2,22,23,24);;/q;2*+1/p-2/t18-;;/m1../s1