D5E
Summary
Name: | paromamine |
Formula: | C12 H25 N3 O7 |
Formal charge: | 0 |
Formula weight: | 323.343 Da |
Component type: | D-saccharide |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | (2~{R},3~{S},4~{R},5~{R},6~{S})-5-azanyl-6-[(1~{R},2~{R},3~{S},4~{R},6~{S})-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl ]oxy-2-(hydroxymethyl)oxane-3,4-diol |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C12H25N3O7/c13-3-1-4(14)11(10(20)7(3)17)22-12-6(15)9(19)8(18)5(2-16)21-12/h3-12,16-20H,1-2,13-15H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1 |
InChIKey | InChI | 1.03 | JGSMDVGTXBPWIM-HKEUSBCWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O)[C@H]1O |
SMILES | CACTVS | 3.385 | N[CH]1C[CH](N)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2N)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | 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)CO)O)O)N)O)O)N |
SMILES | OpenEye OEToolkits | 2.0.6 | C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)O)O)N |