EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C62H105N21O15 |
| Net Charge | 0 |
| Average Mass | 1384.654 |
| Monoisotopic Mass | 1383.80990 |
| SMILES | N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)O |
| InChI | InChI=1S/C62H105N21O15/c63-27-5-1-11-40(67)51(88)81-47(33-36-17-21-38(85)22-18-36)57(94)78-42(13-3-7-29-65)53(90)79-45(25-26-50(68)87)56(93)75-41(12-2-6-28-64)52(89)76-43(15-9-31-73-61(69)70)54(91)77-44(16-10-32-74-62(71)72)55(92)83-49(35-84)59(96)82-48(34-37-19-23-39(86)24-20-37)58(95)80-46(60(97)98)14-4-8-30-66/h17-24,40-49,84-86H,1-16,25-35,63-67H2,(H2,68,87)(H,75,93)(H,76,89)(H,77,91)(H,78,94)(H,79,90)(H,80,95)(H,81,88)(H,82,96)(H,83,92)(H,97,98)(H4,69,70,73)(H4,71,72,74)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 |
| InChIKey | OSCUVTZLPKFJMX-CUZNLEPHSA-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) |
| selcopintide (CHEBI:758667) is a polypeptide (CHEBI:15841) |
| INNs | Source |
|---|---|
| selcopintida | WHO MedNet |
| selcopintide | WHO MedNet |