EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C42H56N6O10S |
| Net Charge | 0 |
| Average Mass | 837.009 |
| Monoisotopic Mass | 836.37786 |
| SMILES | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)O[C@@H]1CCC[C@H]1CCCCCn1c(nc3cc(OC)ccc3c1=O)O2)C(=O)NS(=O)(=O)C1(C)CC1 |
| InChI | InChI=1S/C42H56N6O10S/c1-4-27-23-42(27,38(52)46-59(54,55)41(2)18-19-41)45-35(49)32-22-29-24-48(32)37(51)34(26-12-7-8-13-26)44-40(53)58-33-15-10-14-25(33)11-6-5-9-20-47-36(50)30-17-16-28(56-3)21-31(30)43-39(47)57-29/h4,16-17,21,25-27,29,32-34H,1,5-15,18-20,22-24H2,2-3H3,(H,44,53)(H,45,49)(H,46,52)/t25-,27-,29-,32+,33-,34+,42-/m1/s1 |
| InChIKey | HMYVZDWJFQOHCD-XEZGQWAWSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | antiviral agent A substance that destroys or inhibits replication of viruses. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| mk-2748 (CHEBI:756803) has role antiviral agent (CHEBI:22587) |
| mk-2748 (CHEBI:756803) is a cyclic peptide (CHEBI:23449) |
| Synonyms | Source |
|---|---|
| Mk-2748 | ChEMBL |
| MK2748 | ChEMBL |
| Citations |
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