(2R,3S,4R,5R,6R)-2-(aminomethyl)-5-azanyl-6-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2-[2-(1H-benzimidazol-2-ylmethylamino)ethoxy]-3-oxidanyl-cyclohexyl]oxy-oxane-3,4-diol

Systemtic Name: (2R,3S,4R,5R,6R)-2-(aminomethyl)-5-azanyl-6-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2-[2-(1H-benzimidazol-2-ylmethylamino)ethoxy]-3-oxidanyl-cyclohexyl]oxy-oxane-3,4-diol Openeye Name: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[2-(1H-benzimidazol-2-ylmethylamino)ethoxy]-3-hydroxy-cyclohexoxy]tetrahydropyran-3,4-diol CAS Name: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[2-(1H-benzimidazol-2-ylmethylamino)ethoxy]-3-hydroxycyclohexyl]oxyoxane-3,4-diol IUPAC Name: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[2-(1H-benzimidazol-2-ylmethylamino)ethoxy]-3-hydroxycyclohexyl]oxyoxane-3,4-diol Traditional Name: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[2-(1H-benzimidazol-2-ylmethylamino)ethoxy]-3-hydroxy-cyclohexoxy]tetrahydropyran-3,4-diol Formula: C22H37N7O6 MolecularWeight: 495.57248

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OCCNCC3=NC4=CC=CC=C4N3)O)N

Isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)OCCNCC3=NC4=CC=CC=C4N3)O)N

InChI

InChI=1S/C22H37N7O6/c23-8-14-18(31)19(32)16(26)22(34-14)35-20-11(25)7-10(24)17(30)21(20)33-6-5-27-9-15-28-12-3-1-2-4-13(12)29-15/h1-4,10-11,14,16-22,27,30-32H,5-9,23-26H2,(H,28,29)/t10-,11+,14-,16-,17+,18-,19-,20-,21-,22-/m1/s1