EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C2H4O2.C50H68N14O10 |
| Net Charge | 0 |
| Average Mass | 1085.234 |
| Monoisotopic Mass | 1084.54541 |
| SMILES | CC(=O)O.CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cncn2)NC1=O |
| InChI | InChI=1S/C50H68N14O10.C2H4O2/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32;1-2(3)4/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55);1H3,(H,3,4)/t35-,36-,37-,38+,39-,40-,41-;/m0./s1 |
| InChIKey | MAYUSRUHXFWITM-GBRHMYBBSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bremelanotide acetate (CHEBI:757011) is a polypeptide (CHEBI:15841) |
| Synonyms | Source |
|---|---|
| Bremelanotide acetate | ChEMBL |
| PT 141 | ChEMBL |
| PT-141 | ChEMBL |
| Vyleesi | ChEMBL |
| Brand Name | Source |
|---|---|
| Vyleesi (autoinjector) | ChEMBL |