5-[[(2R,3R,4S,5R,6S)-4-octoxy-3,5,6-tris(oxidanyl)oxan-2-yl]methyl]-8-oxidanyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione

Systemtic Name: 5-[[(2R,3R,4S,5R,6S)-4-octoxy-3,5,6-tris(oxidanyl)oxan-2-yl]methyl]-8-oxidanyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione Openeye Name: 8-hydroxy-5-[[(2R,3R,4S,5R,6S)-3,5,6-trihydroxy-4-octoxy-tetrahydropyran-2-yl]methyl]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione CAS Name: 8-hydroxy-5-[[(2R,3R,4S,5R,6S)-3,5,6-trihydroxy-4-octoxy-2-oxanyl]methyl]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione IUPAC Name: 8-hydroxy-5-[[(2R,3R,4S,5R,6S)-3,5,6-trihydroxy-4-octoxyoxan-2-yl]methyl]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione Traditional Name: 8-hydroxy-5-[[(2R,3R,4S,5R,6S)-3,5,6-trihydroxy-4-octoxy-tetrahydropyran-2-yl]methyl]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-quinone Formula: C26H38N2O8 MolecularWeight: 506.58852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C(C(OC(C1O)O)CN2C3=CC=CC=C3C(=O)N4CC(CC4C2=O)O)O

Isomeric SMILES

CCCCCCCCO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CN2C3=CC=CC=C3C(=O)N4CC(CC4C2=O)O)O

InChI

InChI=1S/C26H38N2O8/c1-2-3-4-5-6-9-12-35-23-21(30)20(36-26(34)22(23)31)15-28-18-11-8-7-10-17(18)24(32)27-14-16(29)13-19(27)25(28)33/h7-8,10-11,16,19-23,26,29-31,34H,2-6,9,12-15H2,1H3/t16?,19?,20-,21-,22-,23+,26+/m1/s1