(2S)-3-dibenzofuran-3-yl-2-[(5-methyl-1-phosphono-hexyl)amino]propanoic acid

Systemtic Name: (2S)-3-dibenzofuran-3-yl-2-[(5-methyl-1-phosphono-hexyl)amino]propanoic acid Openeye Name: (2S)-3-dibenzofuran-3-yl-2-[(5-methyl-1-phosphono-hexyl)amino]propanoic acid CAS Name: (2S)-3-(3-dibenzofuranyl)-2-[(5-methyl-1-phosphonohexyl)amino]propanoic acid IUPAC Name: (2S)-3-dibenzofuran-3-yl-2-[(5-methyl-1-phosphonohexyl)amino]propanoic acid Traditional Name: (2S)-3-dibenzofuran-3-yl-2-[(5-methyl-1-phosphono-hexyl)amino]propionic acid Formula: C22H28NO6P MolecularWeight: 433.434581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(NC(CC1=CC2=C(C=C1)C3=CC=CC=C3O2)C(=O)O)P(=O)(O)O

Isomeric SMILES

CC(C)CCCC(N[C@@H](CC1=CC2=C(C=C1)C3=CC=CC=C3O2)C(=O)O)P(=O)(O)O

InChI

InChI=1S/C22H28NO6P/c1-14(2)6-5-9-21(30(26,27)28)23-18(22(24)25)12-15-10-11-17-16-7-3-4-8-19(16)29-20(17)13-15/h3-4,7-8,10-11,13-14,18,21,23H,5-6,9,12H2,1-2H3,(H,24,25)(H2,26,27,28)/t18-,21?/m0/s1