(2S)-2-[[(1S)-5-azanyl-1-dimethoxyphosphoryl-pentyl]amino]-3-dibenzofuran-3-yl-propanoic acid

Systemtic Name: (2S)-2-[[(1S)-5-azanyl-1-dimethoxyphosphoryl-pentyl]amino]-3-dibenzofuran-3-yl-propanoic acid Openeye Name: (2S)-2-[[(1S)-5-amino-1-dimethoxyphosphoryl-pentyl]amino]-3-dibenzofuran-3-yl-propanoic acid CAS Name: (2S)-2-[[(1S)-5-amino-1-dimethoxyphosphorylpentyl]amino]-3-(3-dibenzofuranyl)propanoic acid IUPAC Name: (2S)-2-[[(1S)-5-amino-1-dimethoxyphosphorylpentyl]amino]-3-dibenzofuran-3-ylpropanoic acid Traditional Name: (2S)-2-[[(1S)-5-amino-1-dimethoxyphosphoryl-pentyl]amino]-3-dibenzofuran-3-yl-propionic acid Formula: C22H29N2O6P MolecularWeight: 448.449221

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(C(CCCCN)NC(CC1=CC2=C(C=C1)C3=CC=CC=C3O2)C(=O)O)OC

Isomeric SMILES

COP(=O)([C@@H](CCCCN)N[C@@H](CC1=CC2=C(C=C1)C3=CC=CC=C3O2)C(=O)O)OC

InChI

InChI=1S/C22H29N2O6P/c1-28-31(27,29-2)21(9-5-6-12-23)24-18(22(25)26)13-15-10-11-17-16-7-3-4-8-19(16)30-20(17)14-15/h3-4,7-8,10-11,14,18,21,24H,5-6,9,12-13,23H2,1-2H3,(H,25,26)/t18-,21-/m0/s1