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CHEBI:760332 - enlicitide decanoate
| Formula | C10H19O2.C82H110FN14O15 |
| Net Charge | 0 |
| Average Mass | 1722.123 |
| Monoisotopic Mass | 1720.96442 |
| SMILES | CCCCCCCCCC(=O)[O-].[H][C@]12Cc3cn(c4ccc(F)cc34)CCCCCCN3Cc4ccc(cc4)CCNC(=O)[C@]4(C)CCCN4C(=O)[C@H](Cc4ccc(OC)cc4)NC(=O)[C@]([H])([C@@H](C)O)NC(=O)[C@]4([H])[C@H](CCN4C1=O)OCC(=O)NCc1cccc(c1)C[C@H](NC(=O)[C@@H](CNC(=O)CCCCC[N+](C)(C)C)NC(=O)[C@H](C)NC(=O)CCC3=O)C(=O)N2 |
| InChI | InChI=1S/C82H109FN14O15.C10H20O2/c1-51-74(103)91-65(47-86-68(99)19-11-10-14-40-97(4,5)6)76(105)88-62-43-56-17-15-18-57(41-56)46-85-70(101)50-112-67-33-39-95-73(67)78(107)92-72(52(2)98)77(106)90-63(42-54-24-27-60(111-7)28-25-54)80(109)96-38-16-34-82(96,3)81(110)84-35-32-53-20-22-55(23-21-53)48-94(71(102)31-30-69(100)87-51)37-13-9-8-12-36-93-49-58(44-64(79(95)108)89-75(62)104)61-45-59(83)26-29-66(61)93;1-2-3-4-5-6-7-8-9-10(11)12/h15,17-18,20-29,41,45,49,51-52,62-65,67,72-73,98H,8-14,16,19,30-40,42-44,46-48,50H2,1-7H3,(H8-,84,85,86,87,88,89,90,91,92,99,100,101,103,104,105,106,107,110);2-9H2,1H3,(H,11,12)/t51-,52+,62-,63-,64-,65+,67-,72-,73-,82-;/m0./s1 |
| InChIKey | ZMLCOVYFOZPADV-QQCDJELVSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Applications: | antiatherosclerotic agent A cardiovascular drug that prevents atherosclerosis (a disease in which the inside of an artery narrows due to the build up of plaque). Compare with antiatherogenic agent. anticholesteremic drug A substance used to lower plasma cholesterol levels. renoprotective agent Any compound that is able to prevent damage to the kidneys. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| enlicitide decanoate (CHEBI:760332) has role antiatherosclerotic agent (CHEBI:145947) |
| enlicitide decanoate (CHEBI:760332) has role anticholesteremic drug (CHEBI:35821) |
| enlicitide decanoate (CHEBI:760332) has role renoprotective agent (CHEBI:231911) |
| enlicitide decanoate (CHEBI:760332) is a oligopeptide (CHEBI:25676) |
| Synonyms | Source |
|---|---|
| Enlicitide decanoate | ChEMBL |
| MK-0616 | ChEMBL |