PRD_000505
Quinupristin
PRD_000505 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).
The representative PDB ID is 1YJW.
Chemical Component Summary | |
|---|---|
| Name | Quinupristin |
| Identifiers | n/a |
| Formula | C53 H67 N9 O10 S |
| Molecular Weight | 1,022.218 |
| Type | PEPTIDE-LIKE |
| Isomeric SMILES | CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CC(C(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)c4c(cccn4)O)C)c5ccccc5)CS[C@@H]6CN7CCC6CC7)Cc8ccc(cc8)N(C)C)C |
| InChI | InChI=1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65) |
| InChIKey | WTHRRGMBUAHGNI-UHFFFAOYSA-N |
| Composition | Polymer Sequences: MHW-THR-DBB-PRO-MHU-MHV-004-MHT |
| BIRD class | ANTIBIOTIC |
| Represented As | POLYMER |
| Compound Details | n/a |
| Description | n/a |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 140 |
| Chiral Atom Count | 8 |
| Bond Count | 147 |
| Aromatic Bond Count | 18 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 5388937 |
| ChEMBL | CHEMBL1200649 |
