(2S)-3-dibenzofuran-3-yl-2-[[(2S)-3-dibenzofuran-3-yl-2-(phosphonomethylamino)propanoyl]amino]propanoic acid

Systemtic Name: (2S)-3-dibenzofuran-3-yl-2-[[(2S)-3-dibenzofuran-3-yl-2-(phosphonomethylamino)propanoyl]amino]propanoic acid Openeye Name: (2S)-3-dibenzofuran-3-yl-2-[[(2S)-3-dibenzofuran-3-yl-2-(phosphonomethylamino)propanoyl]amino]propanoic acid CAS Name: (2S)-3-(3-dibenzofuranyl)-2-[[(2S)-3-(3-dibenzofuranyl)-1-oxo-2-(phosphonomethylamino)propyl]amino]propanoic acid IUPAC Name: (2S)-3-dibenzofuran-3-yl-2-[[(2S)-3-dibenzofuran-3-yl-2-(phosphonomethylamino)propanoyl]amino]propanoic acid Traditional Name: (2S)-3-dibenzofuran-3-yl-2-[[(2S)-3-dibenzofuran-3-yl-2-(phosphonomethylamino)propanoyl]amino]propionic acid Formula: C31H27N2O8P MolecularWeight: 586.528441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)CC(C(=O)NC(CC4=CC5=C(C=C4)C6=CC=CC=C6O5)C(=O)O)NCP(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)C[C@@H](C(=O)N[C@@H](CC4=CC5=C(C=C4)C6=CC=CC=C6O5)C(=O)O)NCP(=O)(O)O

InChI

InChI=1S/C31H27N2O8P/c34-30(33-25(31(35)36)14-19-10-12-23-21-6-2-4-8-27(21)41-29(23)16-19)24(32-17-42(37,38)39)13-18-9-11-22-20-5-1-3-7-26(20)40-28(22)15-18/h1-12,15-16,24-25,32H,13-14,17H2,(H,33,34)(H,35,36)(H2,37,38,39)/t24-,25-/m0/s1