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

Systemtic Name: methyl (2S)-2-[[2-(6-aminopurin-9-yl)ethoxymethyl-phenoxy-phosphoryl]amino]propanoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (2S)-2-[[2-(6-aminopurin-9-yl)ethoxymethyl-phenoxyphosphoryl]amino]propanoate Traditional Name: (2S)-2-[[2-adenin-9-ylethoxymethyl(phenoxy)phosphoryl]amino]propionic acid methyl ester Formula: C18H23N6O5P MolecularWeight: 434.386181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N6O5P/c1-13(18(25)27-2)23-30(26,29-14-6-4-3-5-7-14)12-28-9-8-24-11-22-15-16(19)20-10-21-17(15)24/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,23,26)(H2,19,20,21)/t13-,30?/m0/s1