EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H33N5O6 |
| Net Charge | 0 |
| Average Mass | 547.612 |
| Monoisotopic Mass | 547.24308 |
| SMILES | [H]c1c([H])c([H])c(C([H])([H])OC(=O)N([H])[C@]([H])(C(=O)N([H])N([H])C(=O)N([H])N([H])C(=O)c2c([H])c([H])c([H])c(OC([H])([H])c3c([H])c([H])c([H])c([H])c3[H])c2[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])c([H])c1[H] |
| InChI | InChI=1S/C29H33N5O6/c1-20(2)16-25(30-29(38)40-19-22-12-7-4-8-13-22)27(36)32-34-28(37)33-31-26(35)23-14-9-15-24(17-23)39-18-21-10-5-3-6-11-21/h3-15,17,20,25H,16,18-19H2,1-2H3,(H,30,38)(H,31,35)(H,32,36)(H2,33,34,37)/t25-/m0/s1 |
| InChIKey | CEXWCIXCWCFUSI-VWLOTQADSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE (CHEBI:43396) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 1-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE | PDBeChem |
| benzyl [(1S)-1-({2-[(2-{[3-(benzyloxy)phenyl]carbonyl}hydrazino)carbonyl]hydrazino}carbonyl)-3-methylbutyl]carbamate (non-preferred name) | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| IN3 | PDBeChem |