methyl (2S)-2-[[4-(6-aminopurin-9-yl)but-2-ynoxy-phenoxy-phosphoryl]amino]propanoate

Systemtic Name: methyl (2S)-2-[[4-(6-aminopurin-9-yl)but-2-ynoxy-phenoxy-phosphoryl]amino]propanoate Openeye Name: methyl (2S)-2-[[4-(6-aminopurin-9-yl)but-2-ynoxy-phenoxy-phosphoryl]amino]propanoate CAS Name: (2S)-2-[[4-(6-aminopurin-9-yl)but-2-ynoxy-phenoxyphosphoryl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(6-aminopurin-9-yl)but-2-ynoxy-phenoxyphosphoryl]amino]propanoate Traditional Name: (2S)-2-[[4-adenin-9-ylbut-2-ynoxy(phenoxy)phosphoryl]amino]propionic acid methyl ester Formula: C19H21N6O5P MolecularWeight: 444.381001

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NP(=O)(OCC#CCN1C=NC2=C1N=CN=C2N)OC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OC)NP(=O)(OCC#CCN1C=NC2=C1N=CN=C2N)OC3=CC=CC=C3

InChI

InChI=1S/C19H21N6O5P/c1-14(19(26)28-2)24-31(27,30-15-8-4-3-5-9-15)29-11-7-6-10-25-13-23-16-17(20)21-12-22-18(16)25/h3-5,8-9,12-14H,10-11H2,1-2H3,(H,24,27)(H2,20,21,22)/t14-,31?/m0/s1