EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C16H20N4O4S |
| Net Charge | 0 |
| Average Mass | 364.427 |
| Monoisotopic Mass | 364.12053 |
| SMILES | NCC(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CS)C(=O)O |
| InChI | InChI=1S/C16H20N4O4S/c17-6-14(21)19-12(15(22)20-13(8-25)16(23)24)5-9-7-18-11-4-2-1-3-10(9)11/h1-4,7,12-13,18,25H,5-6,8,17H2,(H,19,21)(H,20,22)(H,23,24)/t12-,13-/m0/s1 |
| InChIKey | RZEDHGORCKRINR-STQMWFEESA-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) |
| Gly-Trp-Cys (CHEBI:164076) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-sulanylpropanoic acid |