methyl (2S)-2-[[(1R)-4-azanyl-1-dimethoxyphosphoryl-butyl]amino]-3-dibenzofuran-3-yl-propanoate

Systemtic Name: methyl (2S)-2-[[(1R)-4-azanyl-1-dimethoxyphosphoryl-butyl]amino]-3-dibenzofuran-3-yl-propanoate Openeye Name: methyl (2S)-2-[[(1R)-4-amino-1-dimethoxyphosphoryl-butyl]amino]-3-dibenzofuran-3-yl-propanoate CAS Name: (2S)-2-[[(1R)-4-amino-1-dimethoxyphosphorylbutyl]amino]-3-(3-dibenzofuranyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(1R)-4-amino-1-dimethoxyphosphorylbutyl]amino]-3-dibenzofuran-3-ylpropanoate Traditional Name: (2S)-2-[[(1R)-4-amino-1-dimethoxyphosphoryl-butyl]amino]-3-dibenzofuran-3-yl-propionic acid methyl ester Formula: C22H29N2O6P MolecularWeight: 448.449221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N2O6P/c1-27-22(25)18(24-21(9-6-12-23)31(26,28-2)29-3)13-15-10-11-17-16-7-4-5-8-19(16)30-20(17)14-15/h4-5,7-8,10-11,14,18,21,24H,6,9,12-13,23H2,1-3H3/t18-,21+/m0/s1