(2S)-3-dibenzofuran-3-yl-2-[[3-(2,3-dimethoxyphenyl)-1-phosphono-propyl]amino]propanoic acid

Systemtic Name: (2S)-3-dibenzofuran-3-yl-2-[[3-(2,3-dimethoxyphenyl)-1-phosphono-propyl]amino]propanoic acid Openeye Name: (2S)-3-dibenzofuran-3-yl-2-[[3-(2,3-dimethoxyphenyl)-1-phosphono-propyl]amino]propanoic acid CAS Name: (2S)-3-(3-dibenzofuranyl)-2-[[3-(2,3-dimethoxyphenyl)-1-phosphonopropyl]amino]propanoic acid IUPAC Name: (2S)-3-dibenzofuran-3-yl-2-[[3-(2,3-dimethoxyphenyl)-1-phosphonopropyl]amino]propanoic acid Traditional Name: (2S)-3-dibenzofuran-3-yl-2-[[3-(2,3-dimethoxyphenyl)-1-phosphono-propyl]amino]propionic acid Formula: C26H28NO8P MolecularWeight: 513.476181

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CCC(NC(CC2=CC3=C(C=C2)C4=CC=CC=C4O3)C(=O)O)P(=O)(O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)CCC(N[C@@H](CC2=CC3=C(C=C2)C4=CC=CC=C4O3)C(=O)O)P(=O)(O)O

InChI

InChI=1S/C26H28NO8P/c1-33-22-9-5-6-17(25(22)34-2)11-13-24(36(30,31)32)27-20(26(28)29)14-16-10-12-19-18-7-3-4-8-21(18)35-23(19)15-16/h3-10,12,15,20,24,27H,11,13-14H2,1-2H3,(H,28,29)(H2,30,31,32)/t20-,24?/m0/s1