OV8
Summary
| Name: | [(2~{R},3~{S},4~{S},5~{R})-5-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
| Formula: | C18 H34 N6 O7 S |
| Formal charge: | 0 |
| Formula weight: | 478.564 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{S},4~{S},5~{R})-5-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propyl]-3,4-bis(oxidanyl)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/C18H34N6O7S/c1-11(2)6-14(20)18(27)22-32(28,29)31-10-15-17(26)16(25)12(9-30-15)4-3-5-24-8-13(7-19)21-23-24/h8,11-12,14-17,25-26H,3-7,9-10,19-20H2,1-2H3,(H,22,27)/t12-,14+,15-,16+,17-/m1/s1 |
| InChIKey | InChI | 1.03 | CBXGRYCGMRFRFP-LMLQULGWSA-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(CN)nn2)[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(CN)nn2)[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)CN)O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(CO1)CCCn2cc(nn2)CN)O)O)N |
