(Q27205036)

CHEMBL2362067 (English)

[(2S,3S,6R)-3-amino-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-oxanyl]methanol

11 October 2016

stereoisomer of

2 references

inferred from InChIKey

[(2S,3S,6S)-3-amino-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-oxanyl]methanol

1 reference

[(2R,3R,6S)-3-amino-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-oxanyl]methanol

1 reference

[(2R,3R,6R)-3-amino-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-oxanyl]methanol

1 reference

chemical formula

C₁₃H₂₅N₅O₂

1 reference

CHEMBL2362067 (English)

11 October 2016

canonical SMILES

CN(C)CC1=CN(N=N1)CCC2CCC(C(O2)CO)N

1 reference

CHEMBL2362067 (English)

11 October 2016

isomeric SMILES

CN(C)CC1=CN(N=N1)CC[C@@H]2CC[C@@H]([C@@H](O2)CO)N

1 reference

CHEMBL2362067 (English)

InChI=1S/C13H25N5O2/c1-17(2)7-10-8-18(16-15-10)6-5-11-3-4-12(14)13(9-19)20-11/h8,11-13,19H,3-7,9,14H2,1-2H3/t11-,12-,13-/m0/s1

11 October 2016

Identifiers

InChI

1 reference

CHEMBL2362067 (English)

RSSFQYFOHBQLRO-AVGNSLFASA-N

11 October 2016

InChIKey

2 references

CHEMBL2362067 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1S)-4-Amino-1,5-anhydro-2,3,4-trideoxy-1-(2-{4-[(dimethylamino)methyl]-1H-1,2,3-triazol-1-yl}ethyl)-L-threo-hexitol (English)

11 October 2016

2 references

CHEMBL2362067 (English)

matched by identifier from

11 October 2016

InChIKey

RSSFQYFOHBQLRO-AVGNSLFASA-N

ChEBI ID

118150

mapping relation type

2 references

[(2R,3S,6S)-3-amino-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-oxanyl]methanol (English)

matched by identifier from

11 October 2016

International Chemical Identifier

InChI

InChI=1S/C13H25N5O2/c1-17(2)7-10-8-18(16-15-10)6-5-11-3-4-12(14)13(9-19)20-11/h8,11-13,19H,3-7,9,14H2,1-2H3/t11-,12-,13-/m0/s1

1 reference