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CHEBI:8733 - Quinupristin-dalfopristin
| Formula | C34H50N4O9S.C53H67N9O10S |
| Net Charge | 0 |
| Average Mass | 1713.099 |
| Monoisotopic Mass | 1711.80301 |
| SMILES | CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C(=O)c3coc(n3)CC(=O)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@@H](C)[C@@H](C(C)C)OC(=O)C12.[H][C@@]12CCCN1C(=O)[C@@H](CC)NC(=O)[C@@H](NC(=O)c1ncccc1O)[C@@H](C)OC(=O)[C@H](c1ccccc1)NC(=O)C1CC(=O)C(CS[C@@H]3CN4CCC3CC4)CN1C(=O)[C@H](Cc1ccc(N(C)C)cc1)N(C)C2=O |
| InChI | InChI=1S/C53H67N9O10S.C34H50N4O9S/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;1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/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);9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b;10-9+,12-11+,23-18+/t31-,35?,37-,38+,39?,40+,43-,44+,45+;24-,25-,28-,31?,32-/m11/s1 |
| InChIKey | PPKJUHVNTMYXOD-HVWWIRKTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Quinupristin-dalfopristin (CHEBI:8733) is a organic molecular entity (CHEBI:50860) |
| Synonym | Source |
|---|---|
| Quinupristin-dalfopristin | KEGG COMPOUND |