EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C20H31N3O5S |
| Net Charge | 0 |
| Average Mass | 425.551 |
| Monoisotopic Mass | 425.19844 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O |
| InChI | InChI=1S/C20H31N3O5S/c1-12(2)10-17(20(27)28)23-19(26)16(8-9-29-3)22-18(25)15(21)11-13-4-6-14(24)7-5-13/h4-7,12,15-17,24H,8-11,21H2,1-3H3,(H,22,25)(H,23,26)(H,27,28)/t15-,16-,17-/m0/s1 |
| InChIKey | OFHKXNKJXURPSY-ULQDDVLXSA-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-Met-Leu (CHEBI:165905) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulanylbutanoyl]amino]-4-methylpentanoic acid |