SH3
N-[2-(1,3-benzodioxol-5-yl)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Find entries where: SH3
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | N-[2-(1,3-benzodioxol-5-yl)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide |
| Identifiers | [(3R)-4-[[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate |
| Formula | C18 H27 N2 O9 P |
| Molecular Weight | 446.389 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O |
| InChI | InChI=1S/C18H27N2O9P/c1-18(2,10-29-30(24,25)26)16(22)17(23)20-8-6-15(21)19-7-5-12-3-4-13-14(9-12)28-11-27-13/h3-4,9,16,22H,5-8,10-11H2,1-2H3,(H,19,21)(H,20,23)(H2,24,25,26)/t16-/m0/s1 |
| InChIKey | OQCPPROGRWYIDC-INIZCTEOSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 57 |
| Chiral Atom Count | 1 |
| Bond Count | 58 |
| Aromatic Bond Count | 6 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 73010392 |
