(2S)-3-dibenzofuran-3-yl-2-[[(1R)-1-dimethoxyphosphoryl-3-quinolin-8-yl-propyl]amino]propanoic acid

Systemtic Name: (2S)-3-dibenzofuran-3-yl-2-[[(1R)-1-dimethoxyphosphoryl-3-quinolin-8-yl-propyl]amino]propanoic acid Openeye Name: (2S)-3-dibenzofuran-3-yl-2-[[(1R)-1-dimethoxyphosphoryl-3-(8-quinolyl)propyl]amino]propanoic acid CAS Name: (2S)-3-(3-dibenzofuranyl)-2-[[(1R)-1-dimethoxyphosphoryl-3-(8-quinolinyl)propyl]amino]propanoic acid IUPAC Name: (2S)-3-dibenzofuran-3-yl-2-[[(1R)-1-dimethoxyphosphoryl-3-quinolin-8-ylpropyl]amino]propanoic acid Traditional Name: (2S)-3-dibenzofuran-3-yl-2-[[(1R)-1-dimethoxyphosphoryl-3-(8-quinolyl)propyl]amino]propionic acid Formula: C29H29N2O6P MolecularWeight: 532.524121

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(C(CCC1=CC=CC2=C1N=CC=C2)NC(CC3=CC4=C(C=C3)C5=CC=CC=C5O4)C(=O)O)OC

Isomeric SMILES

COP(=O)([C@H](CCC1=CC=CC2=C1N=CC=C2)N[C@@H](CC3=CC4=C(C=C3)C5=CC=CC=C5O4)C(=O)O)OC

InChI

InChI=1S/C29H29N2O6P/c1-35-38(34,36-2)27(15-13-21-8-5-7-20-9-6-16-30-28(20)21)31-24(29(32)33)17-19-12-14-23-22-10-3-4-11-25(22)37-26(23)18-19/h3-12,14,16,18,24,27,31H,13,15,17H2,1-2H3,(H,32,33)/t24-,27+/m0/s1