EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H28N4O6S |
| Net Charge | 0 |
| Average Mass | 464.544 |
| Monoisotopic Mass | 464.17296 |
| SMILES | CSCC[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O |
| InChI | InChI=1S/C21H28N4O6S/c1-32-9-8-16(21(30)31)24-20(29)17(25-19(28)14(22)6-7-18(26)27)10-12-11-23-15-5-3-2-4-13(12)15/h2-5,11,14,16-17,23H,6-10,22H2,1H3,(H,24,29)(H,25,28)(H,26,27)(H,30,31)/t14-,16-,17-/m0/s1 |
| InChIKey | ZSIDREAPEPAPKL-XIRDDKMYSA-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) |
| Glu-Trp-Met (CHEBI:163315) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (4S)-4-amino-5-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulanylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid |