Term: | N-(tert-butoxycarbonyl)-L-seryl-L-valyl-N-\{(2S,3E)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-3-en-2-yl\}-L-leucinamide |
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Accession: | CHEBI:149679
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Definition: | A tripeptide that is L-seryl-L-valyl-L-leucine in which the amino group at the N-terminal is substituted by a tert-butoxycarbonyl group and the carboxy group at the C-terminal is substituted by a {(2S,3E)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-3-en-2-yl}amino group. It is a 3C-like protease inhibitor of MERS-CoV and SARS-CoV. |
Synonyms: | related_synonym: | Formula=C30H51N5O9; InChI=1S/C30H51N5O9/c1-9-43-23(37)11-10-20(15-19-12-13-31-25(19)38)32-26(39)21(14-17(2)3)33-28(41)24(18(4)5)35-27(40)22(16-36)34-29(42)44-30(6,7)8/h10-11,17-22,24,36H,9,12-16H2,1-8H3,(H,31,38)(H,32,39)(H,33,41)(H,34,42)(H,35,40)/b11-10+/t19-,20+,21-,22-,24-/m0/s1; InChIKey=JQGRQEJSWFZWOD-IDAOPYDCSA-N; SMILES=O(C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](/C=C/C(=O)OCC)C[C@H]1C(NCC1)=O)=O)CC(C)C)=O)C(C)C)=O)CO)=O)C(C)(C)C; ethyl (6S,9S,12S,15S,16E)-6-(hydroxymethyl)-2,2-dimethyl-12-(2-methylpropyl)-4,7,10,13-tetraoxo-15-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-9-(propan-2-yl)-3-oxa-5,8,11,14-tetraazaoctadec-16-en-18-oate |
| xref: | PMID:17855091; PMID:26055715 |
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