[(2S)-1-(4-azanylbenzimidazol-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-[(2S)-3-octadecoxy-2-phenylmethoxy-propoxy]phosphinic acid

Systemtic Name: [(2S)-1-(4-azanylbenzimidazol-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-[(2S)-3-octadecoxy-2-phenylmethoxy-propoxy]phosphinic acid Openeye Name: [(1S)-1-[(4-aminobenzimidazol-1-yl)methyl]-2-hydroxy-ethoxy]methyl-[(2S)-2-benzyloxy-3-octadecoxy-propoxy]phosphinic acid CAS Name: [(2S)-1-(4-amino-1-benzimidazolyl)-3-hydroxypropan-2-yl]oxymethyl-[(2S)-3-octadecoxy-2-phenylmethoxypropoxy]phosphinic acid IUPAC Name: [(2S)-1-(4-aminobenzimidazol-1-yl)-3-hydroxypropan-2-yl]oxymethyl-[(2S)-3-octadecoxy-2-phenylmethoxypropoxy]phosphinic acid Traditional Name: [(1S)-1-[(4-aminobenzimidazol-1-yl)methyl]-2-hydroxy-ethoxy]methyl-[(2S)-2-benzoxy-3-stearyloxy-propoxy]phosphinic acid Formula: C39H64N3O7P MolecularWeight: 717.915121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(COC(CN1C=NC2=C1C=CC=C2N)CO)O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(CO[C@@H](CN1C=NC2=C1C=CC=C2N)CO)O)OCC3=CC=CC=C3

InChI

InChI=1S/C39H64N3O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-46-30-36(47-29-34-22-18-17-19-23-34)31-49-50(44,45)33-48-35(28-43)27-42-32-41-39-37(40)24-21-25-38(39)42/h17-19,21-25,32,35-36,43H,2-16,20,26-31,33,40H2,1H3,(H,44,45)/t35-,36-/m0/s1