[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] ester IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] ester Formula: C23H29N6O10P MolecularWeight: 580.484321

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H29N6O10P/c1-12(2)15(28-23(33)36-8-13-6-4-3-5-7-13)22(32)39-40(34,35)37-9-14-17(30)18(31)21(38-14)29-11-27-16-19(24)25-10-26-20(16)29/h3-7,10-12,14-15,17-18,21,30-31H,8-9H2,1-2H3,(H,28,33)(H,34,35)(H2,24,25,26)/t14-,15+,17-,18-,21-/m1/s1