EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C52H82ClN15O12 |
| Net Charge | 0 |
| Average Mass | 1144.774 |
| Monoisotopic Mass | 1143.59559 |
| SMILES | [H][C@@]1([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CN)NC(=O)[C@@H](NC(=O)C[C@H](CN)c2cccc(Cl)c2)[C@@H](C)O)CCNC1=O |
| InChI | InChI=1S/C52H82ClN15O12/c1-27(2)21-38-48(76)62-34(13-17-54)44(72)61-36(15-19-56)47(75)68-42(28(3)69)51(79)59-20-16-37(46(74)60-35(14-18-55)45(73)65-39(49(77)64-38)22-30-9-6-5-7-10-30)63-50(78)40(26-58)66-52(80)43(29(4)70)67-41(71)24-32(25-57)31-11-8-12-33(53)23-31/h5-12,23,27-29,32,34-40,42-43,69-70H,13-22,24-26,54-58H2,1-4H3,(H,59,79)(H,60,74)(H,61,72)(H,62,76)(H,63,78)(H,64,77)(H,65,73)(H,66,80)(H,67,71)(H,68,75)/t28-,29-,32-,34+,35+,36+,37+,38+,39-,40+,42+,43+/m1/s1 |
| InChIKey | VAZVBVUQVUHPMS-DFEDBOKMSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. |
| Application: | renoprotective agent Any compound that is able to prevent damage to the kidneys. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| upleganan (CHEBI:759196) has role antibacterial agent (CHEBI:33282) |
| upleganan (CHEBI:759196) has role renoprotective agent (CHEBI:231911) |
| upleganan (CHEBI:759196) is a polypeptide (CHEBI:15841) |
| INN | Source |
|---|---|
| upleganan | WHO MedNet |
| Synonyms | Source |
|---|---|
| Spr206 | ChEMBL |
| SPR-206 | ChEMBL |