(2S)-2-[[9-[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]carbamoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: (2S)-2-[[9-[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]carbamoylamino]-3-oxidanyl-butanoic acid Openeye Name: (2S)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purin-6-yl]carbamoylamino]-3-hydroxy-butanoic acid CAS Name: (2S)-2-[[[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)-2-oxolanyl]-6-purinyl]amino]-oxomethyl]amino]-3-hydroxybutanoic acid IUPAC Name: (2S)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]carbamoylamino]-3-hydroxybutanoic acid Traditional Name: (2S)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purin-6-yl]carbamoylamino]-3-hydroxy-butyric acid Formula: C15H21N6O11P MolecularWeight: 492.334601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)NC1=NC=NC2=C1N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O)O

Isomeric SMILES

CC([C@@H](C(=O)O)NC(=O)NC1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O

InChI

InChI=1S/C15H21N6O11P/c1-5(22)7(14(25)26)19-15(27)20-11-8-12(17-3-16-11)21(4-18-8)13-10(24)9(23)6(32-13)2-31-33(28,29)30/h3-7,9-10,13,22-24H,2H2,1H3,(H,25,26)(H2,28,29,30)(H2,16,17,19,20,27)/t5?,6-,7+,9-,10-,13-/m1/s1