5CI
8-bromo-5'-{[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]amino}-5'-deoxyadenosine
Find entries where: 5CI
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 8-bromo-5'-{[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]amino}-5'-deoxyadenosine |
| Identifiers | 3-[[(2R,3S,4R,5R)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylcarbamoyl]-3-oxidanyl-pentanedioic acid |
| Formula | C16 H19 Br N6 O9 |
| Molecular Weight | 519.261 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CNC(=O)C(CC(=O)O)(CC(=O)O)O)O)O)N |
| InChI | InChI=1S/C16H19BrN6O9/c17-15-22-8-11(18)20-4-21-12(8)23(15)13-10(29)9(28)5(32-13)3-19-14(30)16(31,1-6(24)25)2-7(26)27/h4-5,9-10,13,28-29,31H,1-3H2,(H,19,30)(H,24,25)(H,26,27)(H2,18,20,21)/t5-,9-,10-,13-/m1/s1 |
| InChIKey | QQTQAKWRRPPHOE-MSTPSEHLSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 51 |
| Chiral Atom Count | 4 |
| Bond Count | 53 |
| Aromatic Bond Count | 10 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 56835777 |
