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CHEBI:47098 - 2-[N2-{[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}-N5-carbamoyl-L-ornithyl-L-valyl-N5-(diaminomethyl)-L-ornithyl]-1,3-thiazole
| Formula | C29H45BrN10O5S |
| Net Charge | 0 |
| Average Mass | 725.715 |
| Monoisotopic Mass | 724.24785 |
| SMILES | [H]c1nc(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)N([H])[C@@]([H])(c2c([H])c([H])c(Br)c([H])c2[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])(N([H])[H])N([H])[H])sc1[H] |
| InChI | InChI=1S/C29H45BrN10O5S/c1-16(2)22(25(43)38-20(6-4-12-35-27(31)32)23(41)26-34-14-15-46-26)40-24(42)21(7-5-13-36-28(33)44)39-29(45)37-17(3)18-8-10-19(30)11-9-18/h8-11,14-17,20-22,27,35H,4-7,12-13,31-32H2,1-3H3,(H,38,43)(H,40,42)(H3,33,36,44)(H2,37,39,45)/t17-,20+,21+,22+/m1/s1 |
| InChIKey | HWZOXFNZLMNLSU-MNAPGUCWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[N2-{[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}-N5-carbamoyl-L-ornithyl-L-valyl-N5-(diaminomethyl)-L-ornithyl]-1,3-thiazole (CHEBI:47098) is a 1,3-thiazoles (CHEBI:38418) |
| 2-[N2-{[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}-N5-carbamoyl-L-ornithyl-L-valyl-N5-(diaminomethyl)-L-ornithyl]-1,3-thiazole (CHEBI:47098) is a organobromine compound (CHEBI:37141) |
| 2-[N2-{[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}-N5-carbamoyl-L-ornithyl-L-valyl-N5-(diaminomethyl)-L-ornithyl]-1,3-thiazole (CHEBI:47098) is a tripeptide (CHEBI:47923) |
| Synonyms | Source |
|---|---|
| (S)-2-(3-((R)-1-(4-BROMOPHENYL)ETHYL)UREIDO)-N-((S)-1-((S)-5-GUANIDINO-1-OXO-1-(THIAZOL-2-YL)PENTAN-2-YLAMINO)-3-METHYL-1-OXOBUTAN-2-YL)-5-UREIDOPENTANAMIDE | PDBeChem |
| 2-[N~2~-{[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}-N~5~-carbamoyl-L-ornithyl-L-valyl-N~5~-(diaminomethyl)-L-ornithyl]-1,3-thiazole | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| 339 | PDBeChem |