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| Formula | C22H33N7O4S |
| Net Charge | 0 |
| Average Mass | 491.618 |
| Monoisotopic Mass | 491.23147 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(=O)O |
| InChI | InChI=1S/C22H33N7O4S/c1-34-10-8-18(21(32)33)29-20(31)17(7-4-9-26-22(24)25)28-19(30)15(23)11-13-12-27-16-6-3-2-5-14(13)16/h2-3,5-6,12,15,17-18,27H,4,7-11,23H2,1H3,(H,28,30)(H,29,31)(H,32,33)(H4,24,25,26)/t15-,17-,18-/m0/s1 |
| InChIKey | VFURAIPBOIWAKP-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-Arg-Met (CHEBI:164459) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulanylbutanoic acid |