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

Systemtic Name: (2S)-3-dibenzofuran-3-yl-2-[(1-phosphono-3-quinolin-8-yl-propyl)amino]propanoic acid Openeye Name: (2S)-3-dibenzofuran-3-yl-2-[[1-phosphono-3-(8-quinolyl)propyl]amino]propanoic acid CAS Name: (2S)-3-(3-dibenzofuranyl)-2-[[1-phosphono-3-(8-quinolinyl)propyl]amino]propanoic acid IUPAC Name: (2S)-3-dibenzofuran-3-yl-2-[(1-phosphono-3-quinolin-8-ylpropyl)amino]propanoic acid Traditional Name: (2S)-3-dibenzofuran-3-yl-2-[[1-phosphono-3-(8-quinolyl)propyl]amino]propionic acid Formula: C27H25N2O6P MolecularWeight: 504.470961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)CC(C(=O)O)NC(CCC4=CC=CC5=C4N=CC=C5)P(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)C[C@@H](C(=O)O)NC(CCC4=CC=CC5=C4N=CC=C5)P(=O)(O)O

InChI

InChI=1S/C27H25N2O6P/c30-27(31)22(15-17-10-12-21-20-8-1-2-9-23(20)35-24(21)16-17)29-25(36(32,33)34)13-11-19-6-3-5-18-7-4-14-28-26(18)19/h1-10,12,14,16,22,25,29H,11,13,15H2,(H,30,31)(H2,32,33,34)/t22-,25?/m0/s1