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PMC:7571312 / 70876-71995 JSONTXT

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LitCovid-PD-CLO

Id Subject Object Predicate Lexical cue
T552 419-420 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T553 571-572 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T554 895-897 http://purl.obolibrary.org/obo/CLO_0007874 denotes MS
T555 933-938 http://purl.obolibrary.org/obo/CLO_0007706 denotes M + H

LitCovid-PD-CHEBI

Id Subject Object Predicate Lexical cue chebi_id
T26145 20-26 Chemical denotes leucyl http://purl.obolibrary.org/obo/CHEBI_32630|http://purl.obolibrary.org/obo/CHEBI_37904
T97987 27-32 Chemical denotes amino http://purl.obolibrary.org/obo/CHEBI_46882
T16126 36-39 Chemical denotes oxo http://purl.obolibrary.org/obo/CHEBI_46629
T34684 69-74 Chemical denotes butyl http://purl.obolibrary.org/obo/CHEBI_41264
T74104 158-160 Chemical denotes N2 http://purl.obolibrary.org/obo/CHEBI_17997
T73494 161-167 Chemical denotes acetyl http://purl.obolibrary.org/obo/CHEBI_40574|http://purl.obolibrary.org/obo/CHEBI_46887
T42703 180-192 Chemical denotes chloroacetyl http://purl.obolibrary.org/obo/CHEBI_60669
T73085 224-226 Chemical denotes N2 http://purl.obolibrary.org/obo/CHEBI_17997
T54639 227-233 Chemical denotes methyl http://purl.obolibrary.org/obo/CHEBI_32875|http://purl.obolibrary.org/obo/CHEBI_29309
T6066 277-296 Chemical denotes tert-butoxycarbonyl http://purl.obolibrary.org/obo/CHEBI_48502
T33483 300-306 Chemical denotes leucyl http://purl.obolibrary.org/obo/CHEBI_32630|http://purl.obolibrary.org/obo/CHEBI_37904
T97706 307-312 Chemical denotes amino http://purl.obolibrary.org/obo/CHEBI_46882
T70759 316-319 Chemical denotes oxo http://purl.obolibrary.org/obo/CHEBI_46629
T56418 349-354 Chemical denotes butyl http://purl.obolibrary.org/obo/CHEBI_41264
T18623 355-375 Chemical denotes 2,6-dichlorobenzoate http://purl.obolibrary.org/obo/CHEBI_48624
T24226 497-505 Chemical denotes methanol http://purl.obolibrary.org/obo/CHEBI_17790
T27925 506-521 Chemical denotes dichloromethane http://purl.obolibrary.org/obo/CHEBI_15767
T73984 585-587 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T827 593-597 Chemical denotes DMSO http://purl.obolibrary.org/obo/CHEBI_28262
T42368 623-625 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T99725 647-649 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T30893 691-693 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T5793 716-718 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T75720 730-732 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T66104 744-746 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T34056 772-774 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T85882 786-788 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T836 800-802 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T19325 895-897 Chemical denotes MS http://purl.obolibrary.org/obo/CHEBI_73613
T86821 977-980 Chemical denotes H2O http://purl.obolibrary.org/obo/CHEBI_15377
T3508 985-990 Chemical denotes EtOAc http://purl.obolibrary.org/obo/CHEBI_27750

LitCovid-sentences

Id Subject Object Predicate Lexical cue
T436 0-100 Sentence denotes (3S)-3-[(N-Acetyl-l-leucyl)amino]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2,6-Dichlorobenzoate (30)
T437 101-437 Sentence denotes Following the procedure described for the preparation of N2-acetyl-N1-[(1S)-1-(chloroacetyl)-4-(dimethylamino)-4-oxobutyl]-N2-methyl-l-leucinamide but substituting (3S)-3-{[N-(tert-butoxycarbonyl)-l-leucyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2,6-dichlorobenzoate and making noncritical variations provided a pale yellow oil.
T438 438-584 Sentence denotes This material was purified by Biotage MPLC (25 M, 3.5–4.5% methanol/dichloromethane) to afford 161 mg (78%) of the title compound as a white foam.
T439 585-1019 Sentence denotes 1H NMR (DMSO-d6) δ 8.56 (d, J = 8 Hz, 1H), 8.06 (d, J = 8 Hz, 1H), 7.65–7.53 (m, 4H), 5.17 (d, J = 16 Hz, 1H), 5.10 (d, J = 16 Hz, 1H), 4.44 (m, 1H), 4.25 (m, 1H), 3.12 (m, 2H), 2.25 (m, 1H), 2.06 (m, 1H), 1.97 (m, 1H), 1.84 (s, 3H), 1.63 (m, 3H), 1.45 (m, 2H), 0.90 (d, J = 8 Hz, 3H), 0.85 (d, J = 8 Hz, 3H); MS (ESI+) for C23H29Cl2N3O6m/z 514.0 (M + H)+; anal. calcd for C23H29Cl2N3O6·0.25 H2O·0.1 EtOAc: C, 53.26; H, 5.79; N, 7.96.
T440 1020-1054 Sentence denotes Found: C, 53.27; H, 5.82; N, 7.84.
T441 1055-1119 Sentence denotes HRMS (ESI+) calcd for C23H29Cl2N3O6+H1 514.1506, found 514.1508.

LitCovid-PubTator

Id Subject Object Predicate Lexical cue tao:has_database_id
1531 0-95 Chemical denotes (3S)-3-[(N-Acetyl-l-leucyl)amino]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2,6-Dichlorobenzoate
1543 497-505 Chemical denotes methanol MESH:D000432
1544 506-521 Chemical denotes dichloromethane MESH:D008752
1545 958-971 Chemical denotes C23H29Cl2N3O6
1546 977-980 Chemical denotes H2O
1547 985-990 Chemical denotes EtOAc
1548 992-993 Chemical denotes C MESH:D002244
1549 1011-1012 Chemical denotes N MESH:D009584
1550 1027-1028 Chemical denotes C MESH:D002244
1551 1046-1047 Chemical denotes N MESH:D009584
1552 1077-1090 Chemical denotes C23H29Cl2N3O6
1553 1055-1059 Disease denotes HRMS