disodium [(1R,2S)-1-(hexoxycarbonylamino)-1-(3-methoxyphenyl)propan-2-yl] phosphate

Systemtic Name: disodium [(1R,2S)-1-(hexoxycarbonylamino)-1-(3-methoxyphenyl)propan-2-yl] phosphate Openeye Name: disodium [(1S,2R)-2-(hexoxycarbonylamino)-2-(3-methoxyphenyl)-1-methyl-ethyl] phosphate CAS Name: disodium [(1R,2S)-1-[[hexoxy(oxo)methyl]amino]-1-(3-methoxyphenyl)propan-2-yl] phosphate IUPAC Name: disodium [(1R,2S)-1-(hexoxycarbonylamino)-1-(3-methoxyphenyl)propan-2-yl] phosphate Traditional Name: disodium [(1S,2R)-2-(hexoxycarbonylamino)-2-(3-methoxyphenyl)-1-methyl-ethyl] phosphate Formula: C17H26NNa2O7P MolecularWeight: 433.344141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)NC(C1=CC(=CC=C1)OC)C(C)OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCOC(=O)N[C@H](C1=CC(=CC=C1)OC)[C@H](C)OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C17H28NO7P.2Na/c1-4-5-6-7-11-24-17(19)18-16(13(2)25-26(20,21)22)14-9-8-10-15(12-14)23-3;;/h8-10,12-13,16H,4-7,11H2,1-3H3,(H,18,19)(H2,20,21,22);;/q;2*+1/p-2/t13-,16-;;/m0../s1