PMC:7571312 / 66078-67185
Annnotations
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T524 | 374-375 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T525 | 472-483 | http://purl.obolibrary.org/obo/CLO_0007698 | denotes | mg (38%) of |
T526 | 506-507 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T527 | 901-903 | http://purl.obolibrary.org/obo/CLO_0007874 | denotes | MS |
T528 | 936-941 | http://purl.obolibrary.org/obo/CLO_0007706 | denotes | M + H |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T54206 | 23-36 | Chemical | denotes | 1H-indol-2-yl | http://purl.obolibrary.org/obo/CHEBI_51611 |
T76205 | 23-25 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T54283 | 37-45 | Chemical | denotes | carbonyl | http://purl.obolibrary.org/obo/CHEBI_23019 |
T639 | 49-55 | Chemical | denotes | leucyl | http://purl.obolibrary.org/obo/CHEBI_32630|http://purl.obolibrary.org/obo/CHEBI_37904 |
T641 | 56-61 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T2659 | 65-68 | Chemical | denotes | oxo | http://purl.obolibrary.org/obo/CHEBI_46629 |
T99382 | 98-103 | Chemical | denotes | butyl | http://purl.obolibrary.org/obo/CHEBI_41264 |
T36053 | 197-204 | Chemical | denotes | methoxy | http://purl.obolibrary.org/obo/CHEBI_32772|http://purl.obolibrary.org/obo/CHEBI_44520 |
T84024 | 205-218 | Chemical | denotes | 1H-indol-2-yl | http://purl.obolibrary.org/obo/CHEBI_51611 |
T72558 | 205-207 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T73227 | 219-227 | Chemical | denotes | carbonyl | http://purl.obolibrary.org/obo/CHEBI_23019 |
T64769 | 231-237 | Chemical | denotes | leucyl | http://purl.obolibrary.org/obo/CHEBI_32630|http://purl.obolibrary.org/obo/CHEBI_37904 |
T99752 | 238-243 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T76711 | 247-250 | Chemical | denotes | oxo | http://purl.obolibrary.org/obo/CHEBI_46629 |
T6710 | 280-293 | Chemical | denotes | butyl acetate | http://purl.obolibrary.org/obo/CHEBI_31328 |
T56439 | 280-285 | Chemical | denotes | butyl | http://purl.obolibrary.org/obo/CHEBI_41264 |
T87053 | 286-293 | Chemical | denotes | acetate | http://purl.obolibrary.org/obo/CHEBI_30089|http://purl.obolibrary.org/obo/CHEBI_47622 |
T43272 | 326-330 | Chemical | denotes | acid | http://purl.obolibrary.org/obo/CHEBI_37527 |
T84518 | 434-444 | Chemical | denotes | chloroform | http://purl.obolibrary.org/obo/CHEBI_35255 |
T25451 | 445-458 | Chemical | denotes | ethyl acetate | http://purl.obolibrary.org/obo/CHEBI_27750 |
T64172 | 445-450 | Chemical | denotes | ethyl | http://purl.obolibrary.org/obo/CHEBI_37807|http://purl.obolibrary.org/obo/CHEBI_62801 |
T44252 | 451-458 | Chemical | denotes | acetate | http://purl.obolibrary.org/obo/CHEBI_30089|http://purl.obolibrary.org/obo/CHEBI_47622 |
T46481 | 521-523 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T72289 | 529-533 | Chemical | denotes | DMSO | http://purl.obolibrary.org/obo/CHEBI_28262 |
T666 | 550-552 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T89315 | 574-576 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T57495 | 598-600 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T44704 | 612-614 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T670 | 626-628 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T671 | 640-642 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T27257 | 654-656 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T46988 | 668-670 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T674 | 692-694 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T675 | 716-718 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T94853 | 740-742 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T63231 | 810-812 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T16286 | 901-903 | Chemical | denotes | MS | http://purl.obolibrary.org/obo/CHEBI_73613 |
T14704 | 976-979 | Chemical | denotes | H2O | http://purl.obolibrary.org/obo/CHEBI_15377 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T409 | 0-124 | Sentence | denotes | (3S)-3-({N-[(4-Methoxy-1H-indol-2-yl)carbonyl]-l-leucyl}amino)-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-Cyanobenzoate (28) |
T410 | 125-399 | 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 2-cyanobenzoic acid and making noncritical variations provided a crude brown oily solid. |
T411 | 400-520 | Sentence | denotes | This material was triturated with chloroform/ethyl acetate to afford 91 mg (38%) of the title compound as a white solid. |
T412 | 521-1009 | Sentence | denotes | 1H NMR (DMSO-d6) δ 11.58 (s, 1H), 8.65 (d, J = 8 Hz, 1H), 8.46 (d, J = 8 Hz, 1H), 8.17 (m, 1H), 8.04 (m, 1H), 7.88 (m, 1H), 7.65 (s, 1H), 7.37 (s, 1H), 7.08 (t, J = 8 Hz, 1H), 6.99 (d, J = 8 Hz, 1H), 6.49 (d, J = 8 Hz, 1H), 5.19 (m, 2H), 4.50 (m, 2H), 3.87 (s, 3H), 3.11 (m, 2H), 2.32 (m, 1H), 2.07–1.97 (m, 2H), 1.76–1.56 (m, 5H), 0.94 (d, J = 6 Hz, 3H), 0.89 (d, J = 6 Hz, 3H); MS (ESI+) for C32H35N5O7m/z 602.2 (M + H)+; anal. calcd for C32H35N5O7·0.4 H2O: C, 63.12, H, 5.93; N, 11.50. |
T413 | 1010-1107 | Sentence | denotes | Found: C, 63.16; H, 5.96; N, 11.43; HRMS (ESI+) calcd for C32H35N5O7+H1 602.2609, found 602.2610. |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
1439 | 311-330 | Chemical | denotes | 2-cyanobenzoic acid | |
1440 | 434-444 | Chemical | denotes | chloroform | MESH:D002725 |
1441 | 445-458 | Chemical | denotes | ethyl acetate | MESH:C007650 |
1442 | 961-971 | Chemical | denotes | C32H35N5O7 | |
1443 | 976-979 | Chemical | denotes | H2O | |
1444 | 981-982 | Chemical | denotes | C | MESH:D002244 |
1445 | 1000-1001 | Chemical | denotes | N | MESH:D009584 |
1446 | 1017-1018 | Chemical | denotes | C | MESH:D002244 |
1447 | 1036-1037 | Chemical | denotes | N | MESH:D009584 |
1448 | 1068-1078 | Chemical | denotes | C32H35N5O7 | |
1449 | 1046-1050 | Disease | denotes | HRMS |