EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C25H28N4O7 |
| Net Charge | 0 |
| Average Mass | 496.520 |
| Monoisotopic Mass | 496.19580 |
| SMILES | N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| InChI | InChI=1S/C25H28N4O7/c26-18(11-14-5-7-16(30)8-6-14)23(33)29-21(12-15-13-27-19-4-2-1-3-17(15)19)24(34)28-20(25(35)36)9-10-22(31)32/h1-8,13,18,20-21,27,30H,9-12,26H2,(H,28,34)(H,29,33)(H,31,32)(H,35,36)/t18-,20-,21-/m0/s1 |
| InChIKey | XTOCLOATLKOZAU-JBACZVJFSA-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) |
| Tyr-Trp-Glu (CHEBI:166001) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanedioic acid |