
PMC:7571312 / 50115-51216
Annnotations
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T470 | 390-391 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T471 | 949-953 | http://purl.obolibrary.org/obo/CLO_0050298 | denotes | 10 H |
T472 | 956-958 | http://purl.obolibrary.org/obo/CLO_0007874 | denotes | MS |
T473 | 991-996 | http://purl.obolibrary.org/obo/CLO_0007706 | denotes | M + H |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T65519 | 23-36 | Chemical | denotes | 1H-indol-2-yl | http://purl.obolibrary.org/obo/CHEBI_51611 |
T62787 | 23-25 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T2814 | 37-45 | Chemical | denotes | carbonyl | http://purl.obolibrary.org/obo/CHEBI_23019 |
T48 | 49-55 | Chemical | denotes | leucyl | http://purl.obolibrary.org/obo/CHEBI_32630|http://purl.obolibrary.org/obo/CHEBI_37904 |
T39064 | 56-61 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T28301 | 65-68 | Chemical | denotes | oxo | http://purl.obolibrary.org/obo/CHEBI_46629 |
T28169 | 98-103 | Chemical | denotes | butyl | http://purl.obolibrary.org/obo/CHEBI_41264 |
T28986 | 104-127 | Chemical | denotes | Cyclopropanecarboxylate | http://purl.obolibrary.org/obo/CHEBI_36128 |
T33097 | 205-212 | Chemical | denotes | methoxy | http://purl.obolibrary.org/obo/CHEBI_32772|http://purl.obolibrary.org/obo/CHEBI_44520 |
T33354 | 213-226 | Chemical | denotes | 1H-indol-2-yl | http://purl.obolibrary.org/obo/CHEBI_51611 |
T39869 | 213-215 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T80612 | 227-235 | Chemical | denotes | carbonyl | http://purl.obolibrary.org/obo/CHEBI_23019 |
T99831 | 239-245 | Chemical | denotes | leucyl | http://purl.obolibrary.org/obo/CHEBI_32630|http://purl.obolibrary.org/obo/CHEBI_37904 |
T99405 | 246-251 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T74190 | 255-258 | Chemical | denotes | oxo | http://purl.obolibrary.org/obo/CHEBI_46629 |
T23544 | 288-301 | Chemical | denotes | butyl acetate | http://purl.obolibrary.org/obo/CHEBI_31328 |
T69104 | 288-293 | Chemical | denotes | butyl | http://purl.obolibrary.org/obo/CHEBI_41264 |
T82668 | 294-301 | Chemical | denotes | acetate | http://purl.obolibrary.org/obo/CHEBI_30089|http://purl.obolibrary.org/obo/CHEBI_47622 |
T47617 | 319-346 | Chemical | denotes | cyclopropanecarboxylic acid | http://purl.obolibrary.org/obo/CHEBI_23500 |
T89669 | 342-346 | Chemical | denotes | acid | http://purl.obolibrary.org/obo/CHEBI_37527 |
T69 | 466-474 | Chemical | denotes | methanol | http://purl.obolibrary.org/obo/CHEBI_17790 |
T92205 | 475-490 | Chemical | denotes | dichloromethane | http://purl.obolibrary.org/obo/CHEBI_15767 |
T96218 | 537-539 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T94620 | 554-558 | Chemical | denotes | DMSO | http://purl.obolibrary.org/obo/CHEBI_28262 |
T58187 | 587-589 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T39205 | 613-615 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T91620 | 639-641 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T22421 | 653-655 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T65323 | 679-681 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T99169 | 705-707 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T60504 | 724-726 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T19823 | 750-752 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T81 | 764-766 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T77212 | 783-785 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T18933 | 854-856 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T91104 | 873-875 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T26339 | 892-894 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T70916 | 956-958 | Chemical | denotes | MS | http://purl.obolibrary.org/obo/CHEBI_73613 |
T6246 | 1032-1035 | Chemical | denotes | H2O | http://purl.obolibrary.org/obo/CHEBI_15377 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T329 | 0-132 | Sentence | denotes | (3S)-3-({N-[(4-Methoxy-1H-indol-2-yl)carbonyl]-l-leucyl}amino)-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl Cyclopropanecarboxylate (14) |
T330 | 133-406 | Sentence | denotes | Following the procedure described for the preparation of (3S)-3-({N-[(4-methoxy-1H-indol-2-yl)carbonyl]-l-leucyl}amino)-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl acetate but substituting cyclopropanecarboxylic acid and making noncritical variations provided a crude product. |
T331 | 407-536 | Sentence | denotes | This material was purified by Biotage MPLC (25 M, 2.5–4.5% methanol/dichloromethane) to afford 82 mg (43%) of the title compound. |
T332 | 537-999 | Sentence | denotes | 1H NMR (400 MHz, DMSO-d6) δ 11.57 (d, J = 2.0 Hz, 1H), 8.56 (d, J = 7.8 Hz, 1H), 8.43 (d, J = 7.6 Hz, 1H), 7.63 (s, 1H), 7.36 (d, J = 1.5 Hz, 1H), 7.08 (t, J = 8.0 Hz, 1H), 6.97–7.02 (m, 1H), 6.49 (d, J = 7.6 Hz, 1H), 4.85 (d, 1H), 4.78–4.96 (m, 1H), 4.33–4.51 (m, 2H), 3.87 (s, 3H), 3.02–3.16 (m, 2H), 2.22–2.35 (m, 1H), 2.01–2.11 (m, 1H), 1.89–2.00 (m, 1H), 1.65–1.77 (m, 3H), 1.46–1.65 (m, 3H), 0.81–0.98 (m, 10 H); MS (ESI+) for C28H36N4O7m/z 541.2 (M + H)+. |
T333 | 1000-1065 | Sentence | denotes | Anal. calcd for C28H36N4O7·0.59 H2O: C, 61.01; H, 6.80; N, 10.16. |
T334 | 1066-1101 | Sentence | denotes | Found: C, 61.04; H, 6.72; N, 10.00. |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
1163 | 319-346 | Chemical | denotes | cyclopropanecarboxylic acid | MESH:C015766 |
1164 | 466-474 | Chemical | denotes | methanol | MESH:D000432 |
1165 | 475-490 | Chemical | denotes | dichloromethane | MESH:D008752 |
1166 | 1016-1026 | Chemical | denotes | C28H36N4O7 | |
1167 | 1032-1035 | Chemical | denotes | H2O | |
1168 | 1037-1038 | Chemical | denotes | C | MESH:D002244 |
1169 | 1056-1057 | Chemical | denotes | N | MESH:D009584 |
1170 | 1073-1074 | Chemical | denotes | C | MESH:D002244 |
1171 | 1092-1093 | Chemical | denotes | N | MESH:D009584 |