[(2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[[(6S)-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-3-methyl-2,3-dihydro-1H-pyrrol-5-yl]-oxidanyl-methanolate

Systemtic Name: [(2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[[(6S)-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-3-methyl-2,3-dihydro-1H-pyrrol-5-yl]-oxidanyl-methanolate Openeye Name: [(2S,3R)-2-[(1S,2R)-1-carboxy-2-hydroxy-propyl]-4-[[(6S)-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-3-methyl-2,3-dihydro-1H-pyrrol-5-yl]-hydroxy-methanolate CAS Name: [(2S,3R)-4-[[(6S)-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-yl]thio]-2-[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]-3-methyl-2,3-dihydro-1H-pyrrol-5-yl]-hydroxymethanolate IUPAC Name: [(2S,3R)-4-[[(6S)-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-2-[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]-3-methyl-2,3-dihydro-1H-pyrrol-5-yl]-hydroxymethanolate Traditional Name: [(4R,5S)-5-[(1S,2R)-1-carboxy-2-hydroxy-propyl]-3-[[(6S)-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-yl]thio]-4-methyl-2-pyrrolin-2-yl]-hydroxy-methanolate Formula: C15H22N4O5S MolecularWeight: 370.42398

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(NC(=C1SC2CN3C=NC=[N+]3C2)C(O)[O-])C(C(C)O)C(=O)O

Isomeric SMILES

C[C@@H]1[C@@H](NC(=C1S[C@H]2CN3C=NC=[N+]3C2)C(O)[O-])[C@@H]([C@@H](C)O)C(=O)O

InChI

InChI=1S/C15H22N4O5S/c1-7-11(10(8(2)20)14(21)22)17-12(15(23)24)13(7)25-9-3-18-5-16-6-19(18)4-9/h5-11,15,17,20,23H,3-4H2,1-2H3,(H,21,22)/t7-,8-,10-,11-,15?/m1/s1