OVQ
Summary
| Name: | [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-(4-pyridin-3-yl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
| Formula: | C22 H34 N6 O7 S |
| Formal charge: | 0 |
| Formula weight: | 526.606 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-(4-pyridin-3-yl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H34N6O7S/c1-14(2)9-17(23)22(31)26-36(32,33)35-13-19-21(30)20(29)16(12-34-19)6-4-8-28-11-18(25-27-28)15-5-3-7-24-10-15/h3,5,7,10-11,14,16-17,19-21,29-30H,4,6,8-9,12-13,23H2,1-2H3,(H,26,31)/t16-,17+,19-,20+,21-/m1/s1 |
| InChIKey | InChI | 1.03 | ADQFJUZJIVRSDT-LXDWIVHCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](N)C(=O)N[S](=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(nn2)c3cccnc3)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(nn2)c3cccnc3)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3cccnc3)O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(CO1)CCCn2cc(nn2)c3cccnc3)O)O)N |
