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

Systemtic Name: methyl (2S)-2-[[(1S)-5-azanyl-1-dimethoxyphosphoryl-pentyl]amino]-3-dibenzofuran-3-yl-propanoate Openeye Name: methyl (2S)-2-[[(1S)-5-amino-1-dimethoxyphosphoryl-pentyl]amino]-3-dibenzofuran-3-yl-propanoate CAS Name: (2S)-2-[[(1S)-5-amino-1-dimethoxyphosphorylpentyl]amino]-3-(3-dibenzofuranyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(1S)-5-amino-1-dimethoxyphosphorylpentyl]amino]-3-dibenzofuran-3-ylpropanoate Traditional Name: (2S)-2-[[(1S)-5-amino-1-dimethoxyphosphoryl-pentyl]amino]-3-dibenzofuran-3-yl-propionic acid methyl ester Formula: C23H31N2O6P MolecularWeight: 462.475801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N2O6P/c1-28-23(26)19(25-22(10-6-7-13-24)32(27,29-2)30-3)14-16-11-12-18-17-8-4-5-9-20(17)31-21(18)15-16/h4-5,8-9,11-12,15,19,22,25H,6-7,10,13-14,24H2,1-3H3/t19-,22-/m0/s1