propan-2-yl (2S)-2-[[2-(6-aminopurin-9-yl)ethoxymethyl-phenoxy-phosphoryl]amino]propanoate

Systemtic Name: propan-2-yl (2S)-2-[[2-(6-aminopurin-9-yl)ethoxymethyl-phenoxy-phosphoryl]amino]propanoate Openeye Name: isopropyl (2S)-2-[[2-(6-aminopurin-9-yl)ethoxymethyl-phenoxy-phosphoryl]amino]propanoate CAS Name: (2S)-2-[[2-(6-aminopurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-2-[[2-(6-aminopurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate Traditional Name: (2S)-2-[[2-adenin-9-ylethoxymethyl(phenoxy)phosphoryl]amino]propionic acid isopropyl ester Formula: C20H27N6O5P MolecularWeight: 462.439341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C)NP(=O)(COCCN1C=NC2=C1N=CN=C2N)OC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OC(C)C)NP(=O)(COCCN1C=NC2=C1N=CN=C2N)OC3=CC=CC=C3

InChI

InChI=1S/C20H27N6O5P/c1-14(2)30-20(27)15(3)25-32(28,31-16-7-5-4-6-8-16)13-29-10-9-26-12-24-17-18(21)22-11-23-19(17)26/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,25,28)(H2,21,22,23)/t15-,32?/m0/s1