(1R,2R,5S,6S)-6-[(2S,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-3,9-dimethyl-4-oxidanylidene-7-oxa-3,9-diazabicyclo[3.2.2]nonane-2-carboxylic acid

Systemtic Name: (1R,2R,5S,6S)-6-[(2S,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-3,9-dimethyl-4-oxidanylidene-7-oxa-3,9-diazabicyclo[3.2.2]nonane-2-carboxylic acid Openeye Name: (1R,2R,5S,6S)-6-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-3,9-dimethyl-4-oxo-7-oxa-3,9-diazabicyclo[3.2.2]nonane-2-carboxylic acid CAS Name: (1R,2R,5S,6S)-6-[(2S,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]-3,9-dimethyl-4-oxo-7-oxa-3,9-diazabicyclo[3.2.2]nonane-2-carboxylic acid IUPAC Name: (1R,2R,5S,6S)-6-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-3,9-dimethyl-4-oxo-7-oxa-3,9-diazabicyclo[3.2.2]nonane-2-carboxylic acid Traditional Name: (1R,2R,5S,6S)-6-[(2S,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-4-keto-3,9-dimethyl-7-oxa-3,9-diazabicyclo[3.2.2]nonane-2-carboxylic acid Formula: C17H22N4O9 MolecularWeight: 426.37798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC2C(N(C(=O)C1C(O2)C3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)C)C(=O)O

Isomeric SMILES

CN1C[C@@H]2[C@@H](N(C(=O)[C@@H]1[C@H](O2)[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)C)C(=O)O

InChI

InChI=1S/C17H22N4O9/c1-19-5-6-8(16(26)27)20(2)14(25)9(19)12(29-6)13-10(23)11(24)15(30-13)21-4-3-7(22)18-17(21)28/h3-4,6,8-13,15,23-24H,5H2,1-2H3,(H,26,27)(H,18,22,28)/t6-,8-,9+,10+,11-,12+,13+,15-/m1/s1