(2S)-2-[[(1S)-4-azanyl-1-dimethoxyphosphoryl-butyl]amino]-3-dibenzofuran-3-yl-propanoic acid

Systemtic Name: (2S)-2-[[(1S)-4-azanyl-1-dimethoxyphosphoryl-butyl]amino]-3-dibenzofuran-3-yl-propanoic acid Openeye Name: (2S)-2-[[(1S)-4-amino-1-dimethoxyphosphoryl-butyl]amino]-3-dibenzofuran-3-yl-propanoic acid CAS Name: (2S)-2-[[(1S)-4-amino-1-dimethoxyphosphorylbutyl]amino]-3-(3-dibenzofuranyl)propanoic acid IUPAC Name: (2S)-2-[[(1S)-4-amino-1-dimethoxyphosphorylbutyl]amino]-3-dibenzofuran-3-ylpropanoic acid Traditional Name: (2S)-2-[[(1S)-4-amino-1-dimethoxyphosphoryl-butyl]amino]-3-dibenzofuran-3-yl-propionic acid Formula: C21H27N2O6P MolecularWeight: 434.422641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N2O6P/c1-27-30(26,28-2)20(8-5-11-22)23-17(21(24)25)12-14-9-10-16-15-6-3-4-7-18(15)29-19(16)13-14/h3-4,6-7,9-10,13,17,20,23H,5,8,11-12,22H2,1-2H3,(H,24,25)/t17-,20-/m0/s1