(2S,3R)-2-[(2S,3R)-5-[bis(oxidanyl)methyl]-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-2-yl]-3-oxidanyl-butanoic acid

Systemtic Name: (2S,3R)-2-[(2S,3R)-5-[bis(oxidanyl)methyl]-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-2-yl]-3-oxidanyl-butanoic acid Openeye Name: (2S,3R)-2-[(2S,3R)-4-[[(6S)-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-5-(dihydroxymethyl)-3-methyl-2,3-dihydro-1H-pyrrol-2-yl]-3-hydroxy-butanoic acid CAS Name: (2S,3R)-2-[(2S,3R)-4-[[(6S)-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-yl]thio]-5-(dihydroxymethyl)-3-methyl-2,3-dihydro-1H-pyrrol-2-yl]-3-hydroxybutanoic acid IUPAC Name: (2S,3R)-2-[(2S,3R)-4-[[(6S)-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-5-(dihydroxymethyl)-3-methyl-2,3-dihydro-1H-pyrrol-2-yl]-3-hydroxybutanoic acid Traditional Name: (2S,3R)-2-[(2S,3R)-4-[[(6S)-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-yl]thio]-5-(dihydroxymethyl)-3-methyl-2-pyrrolin-2-yl]-3-hydroxy-butyric acid Formula: C15H23N4O5S+ MolecularWeight: 371.43192

Click to see the large picture

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/h5-11,15,17,20,23-24H,3-4H2,1-2H3/p+1/t7-,8-,10-,11-/m1/s1