EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H33N3O5 |
| Net Charge | 0 |
| Average Mass | 407.511 |
| Monoisotopic Mass | 407.24202 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C21H33N3O5/c1-5-13(4)18(24-19(26)16(22)10-12(2)3)20(27)23-17(21(28)29)11-14-6-8-15(25)9-7-14/h6-9,12-13,16-18,25H,5,10-11,22H2,1-4H3,(H,23,27)(H,24,26)(H,28,29)/t13-,16-,17-,18-/m0/s1 |
| InChIKey | NRFGTHFONZYFNY-MGHWNKPDSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Leu-Ile-Tyr (CHEBI:159301) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 8539493 | ChemSpider |