EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C18H28N6O5S |
| Net Charge | 0 |
| Average Mass | 440.526 |
| Monoisotopic Mass | 440.18419 |
| SMILES | NC(N)=NCCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C18H28N6O5S/c19-12(9-30)15(26)23-13(2-1-7-22-18(20)21)16(27)24-14(17(28)29)8-10-3-5-11(25)6-4-10/h3-6,12-14,25,30H,1-2,7-9,19H2,(H,23,26)(H,24,27)(H,28,29)(H4,20,21,22)/t12-,13-,14-/m0/s1 |
| InChIKey | XXDLUZLKHOVPNW-IHRRRGAJSA-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) |
| Cys-Arg-Tyr (CHEBI:161142) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid |