2-azanyl-N-[(1S,2R,3R,4S,6S)-4-azanyl-6-methoxy-3-[(2R,3S,6S)-6-(methylaminomethyl)-3-oxidanyl-oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]-N-methyl-ethanamide trihydrochloride

Systemtic Name: 2-azanyl-N-[(1S,2R,3R,4S,6S)-4-azanyl-6-methoxy-3-[(2R,3S,6S)-6-(methylaminomethyl)-3-oxidanyl-oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]-N-methyl-ethanamide trihydrochloride Openeye Name: 2-amino-N-[(1S,2R,3R,4S,6S)-4-amino-2-hydroxy-3-[(2R,3S,6S)-3-hydroxy-6-(methylaminomethyl)tetrahydropyran-2-yl]oxy-6-methoxy-cyclohexyl]-N-methyl-acetamide trihydrochloride CAS Name: 2-amino-N-[(1S,2R,3R,4S,6S)-4-amino-2-hydroxy-3-[[(2R,3S,6S)-3-hydroxy-6-(methylaminomethyl)-2-oxanyl]oxy]-6-methoxycyclohexyl]-N-methylacetamide trihydrochloride IUPAC Name: 2-amino-N-[(1S,2R,3R,4S,6S)-4-amino-2-hydroxy-3-[(2R,3S,6S)-3-hydroxy-6-(methylaminomethyl)oxan-2-yl]oxy-6-methoxycyclohexyl]-N-methylacetamide trihydrochloride Traditional Name: 2-amino-N-[(1S,2R,3R,4S,6S)-4-amino-2-hydroxy-3-[(2R,3S,6S)-3-hydroxy-6-(methylaminomethyl)tetrahydropyran-2-yl]oxy-6-methoxy-cyclohexyl]-N-methyl-acetamide trihydrochloride Formula: C17H37Cl3N4O6 MolecularWeight: 499.85788

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1CCC(C(O1)OC2C(CC(C(C2O)N(C)C(=O)CN)OC)N)O.Cl.Cl.Cl

Isomeric SMILES

CNC[C@@H]1CC[C@@H]([C@H](O1)O[C@@H]2[C@H](C[C@@H]([C@H]([C@H]2O)N(C)C(=O)CN)OC)N)O.Cl.Cl.Cl

InChI

InChI=1S/C17H34N4O6.3ClH/c1-20-8-9-4-5-11(22)17(26-9)27-16-10(19)6-12(25-3)14(15(16)24)21(2)13(23)7-18;;;/h9-12,14-17,20,22,24H,4-8,18-19H2,1-3H3;3*1H/t9-,10-,11-,12-,14+,15+,16+,17+;;;/m0.../s1