[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-N-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acid

Systemtic Name: [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-N-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acid Openeye Name: [(2S,5R)-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methoxy-N-[(1S)-1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-oxo-ethyl]phosphonamidic acid CAS Name: [(2S,5R)-5-(6-aminopurin-9-yl)-2-oxolanyl]methoxy-N-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]phosphonamidic acid IUPAC Name: [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-N-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]phosphonamidic acid Traditional Name: [(2S,5R)-5-adenin-9-yltetrahydrofuran-2-yl]methoxy-N-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-(methylamino)ethyl]phosphonamidic acid Formula: C22H27N8O5P MolecularWeight: 514.474141

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CNC2=CC=CC=C21)NP(=O)(O)OCC3CCC(O3)N4C=NC5=C4N=CN=C5N

Isomeric SMILES

CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NP(=O)(O)OC[C@@H]3CC[C@@H](O3)N4C=NC5=C4N=CN=C5N

InChI

InChI=1S/C22H27N8O5P/c1-24-22(31)17(8-13-9-25-16-5-3-2-4-15(13)16)29-36(32,33)34-10-14-6-7-18(35-14)30-12-28-19-20(23)26-11-27-21(19)30/h2-5,9,11-12,14,17-18,25H,6-8,10H2,1H3,(H,24,31)(H2,23,26,27)(H2,29,32,33)/t14-,17-,18+/m0/s1