[(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-carbamimidoylsulfanyl-2-methyl-oxan-3-yl] ethanoate hydrobromide

Systemtic Name: [(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-carbamimidoylsulfanyl-2-methyl-oxan-3-yl] ethanoate hydrobromide Openeye Name: [(2S,3S,4R,5R,6S)-4,5-diacetoxy-6-carbamimidoylsulfanyl-2-methyl-tetrahydropyran-3-yl] acetate hydrobromide CAS Name: acetic acid [(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-(carbamimidoylthio)-2-methyl-3-oxanyl] ester hydrobromide IUPAC Name: [(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-carbamimidoylsulfanyl-2-methyloxan-3-yl] acetate hydrobromide Traditional Name: acetic acid [(2S,3S,4R,5R,6S)-4,5-diacetoxy-6-(amidinothio)-2-methyl-tetrahydropyran-3-yl] ester hydrobromide Formula: C13H21BrN2O7S MolecularWeight: 429.28404

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)SC(=N)N)OC(=O)C)OC(=O)C)OC(=O)C.Br

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)SC(=N)N)OC(=O)C)OC(=O)C)OC(=O)C.Br

InChI

InChI=1S/C13H20N2O7S.BrH/c1-5-9(20-6(2)16)10(21-7(3)17)11(22-8(4)18)12(19-5)23-13(14)15;/h5,9-12H,1-4H3,(H3,14,15);1H/t5-,9-,10+,11+,12-;/m0./s1