DV2
~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamothioyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]ethanamide
Find entries where: DV2
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | ~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamothioyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]ethanamide |
| Identifiers | ~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamothioyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]ethanamide |
| Formula | C21 H26 N4 O3 S2 |
| Molecular Weight | 446.586 |
| Type | NON-POLYMER |
| Isomeric SMILES | Cc1c(scn1)c2ccc(cc2)CNC(=S)[C@@H]3C[C@H](CN3C(=O)[C@H](C)NC(=O)C)O |
| InChI | InChI=1S/C21H26N4O3S2/c1-12-19(30-11-23-12)16-6-4-15(5-7-16)9-22-20(29)18-8-17(27)10-25(18)21(28)13(2)24-14(3)26/h4-7,11,13,17-18,27H,8-10H2,1-3H3,(H,22,29)(H,24,26)/t13-,17+,18-/m0/s1 |
| InChIKey | XGBXEQHIGHVMKO-VHSSKADRSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 56 |
| Chiral Atom Count | 3 |
| Bond Count | 58 |
| Aromatic Bond Count | 11 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 132990907 |
| ChEMBL | CHEMBL4225198 |
