(1S,2S,3R,5R,6S,7R)-6-(1,2,3,5,6,7-hexahydropyrazolo[1,2-a][1,2,4]triazol-6-ylsulfanyl)-3,7-dimethyl-4-oxa-8-azabicyclo[3.2.1]octane-2,5-dicarboxylic acid

Systemtic Name: (1S,2S,3R,5R,6S,7R)-6-(1,2,3,5,6,7-hexahydropyrazolo[1,2-a][1,2,4]triazol-6-ylsulfanyl)-3,7-dimethyl-4-oxa-8-azabicyclo[3.2.1]octane-2,5-dicarboxylic acid Openeye Name: (1S,2S,3R,5R,6S,7R)-6-(1,2,3,5,6,7-hexahydropyrazolo[1,2-a][1,2,4]triazol-6-ylsulfanyl)-3,7-dimethyl-4-oxa-8-azabicyclo[3.2.1]octane-2,5-dicarboxylic acid CAS Name: (1S,2S,3R,5R,6S,7R)-6-(1,2,3,5,6,7-hexahydropyrazolo[1,2-a][1,2,4]triazol-6-ylthio)-3,7-dimethyl-4-oxa-8-azabicyclo[3.2.1]octane-2,5-dicarboxylic acid IUPAC Name: (1S,2S,3R,5R,6S,7R)-6-(1,2,3,5,6,7-hexahydropyrazolo[1,2-a][1,2,4]triazol-6-ylsulfanyl)-3,7-dimethyl-4-oxa-8-azabicyclo[3.2.1]octane-2,5-dicarboxylic acid Traditional Name: (1S,2S,3R,5R,6S,7R)-6-(1,2,3,5,6,7-hexahydropyrazolo[1,2-a][1,2,4]triazol-6-ylthio)-3,7-dimethyl-4-oxa-8-azabicyclo[3.2.1]octane-2,5-dicarboxylic acid Formula: C15H24N4O5S MolecularWeight: 372.43986

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(OC(C1SC3CN4CNCN4C3)(N2)C(=O)O)C)C(=O)O

Isomeric SMILES

C[C@@H]1[C@@H]2[C@@H]([C@H](O[C@]([C@H]1SC3CN4CNCN4C3)(N2)C(=O)O)C)C(=O)O

InChI

InChI=1S/C15H24N4O5S/c1-7-11-10(13(20)21)8(2)24-15(17-11,14(22)23)12(7)25-9-3-18-5-16-6-19(18)4-9/h7-12,16-17H,3-6H2,1-2H3,(H,20,21)(H,22,23)/t7-,8-,10-,11-,12+,15+/m1/s1