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CHEBI:751656 - labradimil
| Formula | C49H75N15O12S |
| Net Charge | 0 |
| Average Mass | 1098.299 |
| Monoisotopic Mass | 1097.54403 |
| SMILES | COc1ccc(C[C@@H](CN[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](Cc2cccs2)NC(=O)CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCNC(=N)N)cc1 |
| InChI | InChI=1S/C49H75N15O12S/c1-76-31-14-12-28(13-15-31)21-29(24-57-34(47(74)75)9-3-17-56-49(53)54)59-43(70)37-10-4-18-62(37)45(72)36(27-65)61-41(68)35(23-32-7-6-20-77-32)60-40(67)25-58-42(69)39-22-30(66)26-64(39)46(73)38-11-5-19-63(38)44(71)33(50)8-2-16-55-48(51)52/h6-7,12-15,20,29-30,33-39,57,65-66H,2-5,8-11,16-19,21-27,50H2,1H3,(H,58,69)(H,59,70)(H,60,67)(H,61,68)(H,74,75)(H4,51,52,55)(H4,53,54,56)/t29-,30+,33-,34-,35-,36-,37-,38-,39-/m0/s1 |
| InChIKey | IDXCXSCCZNCXCL-XMADEQCMSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| labradimil (CHEBI:751656) has role antifungal agent (CHEBI:35718) |
| labradimil (CHEBI:751656) has role antineoplastic agent (CHEBI:35610) |
| labradimil (CHEBI:751656) is a polypeptide (CHEBI:15841) |
| INN | Source |
|---|---|
| labradimil | WHO MedNet |
| Synonyms | Source |
|---|---|
| Lobradimil | ChEMBL |
| RMP-7 | ChEMBL |
| Citations |
|---|