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CHEBI:73294 - NPC-567
| Formula | C60H87N19O13 |
| Net Charge | 0 |
| Average Mass | 1282.476 |
| Monoisotopic Mass | 1281.67307 |
| SMILES | N=C(N)NCCC[C@@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O |
| InChI | InChI=1S/C60H87N19O13/c61-39(20-10-24-68-58(62)63)49(83)73-40(21-11-25-69-59(64)65)55(89)78-27-13-23-46(78)56(90)79-33-38(81)31-47(79)54(88)71-32-48(82)72-42(28-35-14-4-1-5-15-35)50(84)77-45(34-80)53(87)76-44(30-37-18-8-3-9-19-37)52(86)75-43(29-36-16-6-2-7-17-36)51(85)74-41(57(91)92)22-12-26-70-60(66)67/h1-9,14-19,38-47,80-81H,10-13,20-34,61H2,(H,71,88)(H,72,82)(H,73,83)(H,74,85)(H,75,86)(H,76,87)(H,77,84)(H,91,92)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t38-,39-,40+,41+,42+,43+,44-,45+,46+,47+/m1/s1 |
| InChIKey | RBIXVHPHNGXTCI-QJTYZATASA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | bradykinin receptor antagonist An antagonist at the bradykinin receptor. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| NPC-567 (CHEBI:73294) has functional parent bradykinin (CHEBI:3165) |
| NPC-567 (CHEBI:73294) has role bradykinin receptor antagonist (CHEBI:68557) |
| NPC-567 (CHEBI:73294) is a oligopeptide (CHEBI:25676) |
| IUPAC Name |
|---|
| D-arginyl-L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolylglycyl-L-phenylalanyl-L-seryl-D-phenylalanyl-L-phenylalanyl-L-arginine |
| Synonyms | Source |
|---|---|
| [D-Arg0,Hyp3,D-Phe7]bradykinin | ChEBI |
| D-Arg-Arg-Pro-Hyp-Gly-Phe-Ser-D-Phe-Phe-Arg | ChEBI |
| arg(0)-hyp(3)-phe(7)-bradykinin | ChemIDplus |
| Arg-3-hyp-7-phe-bradykinin | ChemIDplus |
| Npc 567 | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5422398 | Reaxys |
| CAS:109333-26-8 | ChemIDplus |
| Citations |
|---|