EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H30N4O4S |
| Net Charge | 0 |
| Average Mass | 434.562 |
| Monoisotopic Mass | 434.19878 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(C)C)C(=O)O |
| InChI | InChI=1S/C21H30N4O4S/c1-12(2)18(20(27)24-17(21(28)29)8-9-30-3)25-19(26)15(22)10-13-11-23-16-7-5-4-6-14(13)16/h4-7,11-12,15,17-18,23H,8-10,22H2,1-3H3,(H,24,27)(H,25,26)(H,28,29)/t15-,17-,18-/m0/s1 |
| InChIKey | KPEVFMGKBCMTJF-SZMVWBNQSA-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) |
| Trp-Val-Met (CHEBI:164924) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylsulanylbutanoic acid |