3V9
N-(1,3-benzodioxol-5-ylmethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Find entries where: 3V9
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | N-(1,3-benzodioxol-5-ylmethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide |
| Identifiers | [(3R)-4-[[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate |
| Formula | C17 H25 N2 O9 P |
| Molecular Weight | 432.362 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCc1ccc2c(c1)OCO2)O |
| InChI | InChI=1S/C17H25N2O9P/c1-17(2,9-28-29(23,24)25)15(21)16(22)18-6-5-14(20)19-8-11-3-4-12-13(7-11)27-10-26-12/h3-4,7,15,21H,5-6,8-10H2,1-2H3,(H,18,22)(H,19,20)(H2,23,24,25)/t15-/m0/s1 |
| InChIKey | BHYGBZMPSWVNBD-HNNXBMFYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 54 |
| Chiral Atom Count | 1 |
| Bond Count | 55 |
| Aromatic Bond Count | 6 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 121488093 |
