(3R,10S)-6,7-bis(oxidanyl)-1,2,3,4,8,9,10,11-octahydropyrido[4,3-g][1,4]benzothiazepine-3,10-dicarboxylic acid

Systemtic Name: (3R,10S)-6,7-bis(oxidanyl)-1,2,3,4,8,9,10,11-octahydropyrido[4,3-g][1,4]benzothiazepine-3,10-dicarboxylic acid Openeye Name: (3R,10S)-6,7-dihydroxy-1,2,3,4,8,9,10,11-octahydropyrido[4,3-g][1,4]benzothiazepine-3,10-dicarboxylic acid CAS Name: (3R,10S)-6,7-dihydroxy-1,2,3,4,8,9,10,11-octahydropyrido[4,3-g][1,4]benzothiazepine-3,10-dicarboxylic acid IUPAC Name: (3R,10S)-6,7-dihydroxy-1,2,3,4,8,9,10,11-octahydropyrido[4,3-g][1,4]benzothiazepine-3,10-dicarboxylic acid Traditional Name: (3R,10S)-6,7-dihydroxy-1,2,3,4,8,9,10,11-octahydropyrido[4,3-g][1,4]benzothiazepine-3,10-dicarboxylic acid Formula: C14H16N2O6S MolecularWeight: 340.35164

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=C1C3=C(C(=C2O)O)SCC(NC3)C(=O)O)C(=O)O

Isomeric SMILES

C1[C@H](NCC2=C1C3=C(C(=C2O)O)SC[C@H](NC3)C(=O)O)C(=O)O

InChI

InChI=1S/C14H16N2O6S/c17-10-6-2-15-8(13(19)20)1-5(6)7-3-16-9(14(21)22)4-23-12(7)11(10)18/h8-9,15-18H,1-4H2,(H,19,20)(H,21,22)/t8-,9-/m0/s1