 | | FHS | | Name: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid | | Formula: | C30 H44 N4 O9 S | | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)Cc2ccccc2)C1)C(O)S(=O)(=O)O | | InChi: | InChI=1S/C30H44N4O9S/c1-19(2)14-23(27(37)32-24(28(38)44(40,41)42)16-21-8-11-31-26(21)36)33-29(39)43-22-17-30(18-22)9-12-34(13-10-30)25(35)15-20-6-4-3-5-7-20/h3-7,19,21-24,28,38H,8-18H2,1-2H3,(H,31,36)(H,32,37)(H,33,39)(H,40,41,42)/t21-,23-,24-,28-/m0/s1 | | Definition date: | 2021-12-15 | | Last modified: | 2024-09-27 | | Release date: | 2021-12-22 | | Identifier: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid |
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 | | YJ2 | | Name: | (2S,4R)-1-[1-(4-BROMOPHENYL)CYCLOPROPYL]CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[1-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE | | Formula: | C25 H25 Br Cl N3 O4 S | | SMILES: | O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(Br)cc3)CC4)C5 | | InChi: | InChI=1S/C25H25BrClN3O4S/c26-17-7-5-16(6-8-17)25(11-12-25)23(32)30-14-18(35(33,34)21-4-2-1-3-19(21)27)13-20(30)22(31)29-24(15-28)9-10-24/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1 | | Definition date: | 2011-05-18 | | Last modified: | 2024-09-27 | | Identifier: | (4R)-1-{[1-(4-bromophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-L-prolinamide |
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 | | YWX | | Name: | 2-{3-[(Z)-iminomethyl]-1H-1,2,4-triazol-1-yl}-1-{(3M)-3-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-b]pyridin-6-yl}ethan-1-one | | Formula: | C19 H13 F3 N6 O | | SMILES: | O=C(Cn1cnc(C=N)n1)n1cc2cc(cnc2c1)c1ccccc1C(F)(F)F | | InChi: | InChI=1S/C19H13F3N6O/c20-19(21,22)15-4-2-1-3-14(15)12-5-13-8-27(9-16(13)24-7-12)18(29)10-28-11-25-17(6-23)26-28/h1-9,11,23H,10H2/b23-6- | | Synonyms: | inhibitor CT1, bound form | | Definition date: | 2023-03-02 | | Last modified: | 2024-09-27 | | Release date: | 2023-07-12 | | Identifier: | 2-{3-[(Z)-iminomethyl]-1H-1,2,4-triazol-1-yl}-1-{(3M)-3-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-b]pyridin-6-yl}ethan-1-one |
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 | | ZKR | | Name: | [5-(trifluoromethyl)thiophen-2-yl]boronic acid | | Formula: | C5 H4 B F3 O2 S | | SMILES: | FC(F)(F)c1ccc(s1)B(O)O | | InChi: | InChI=1S/C5H4BF3O2S/c7-5(8,9)3-1-2-4(12-3)6(10)11/h1-2,10-11H | | Definition date: | 2023-06-28 | | Last modified: | 2024-09-27 | | Release date: | 2024-07-17 | | Identifier: | [5-(trifluoromethyl)thiophen-2-yl]boronic acid |
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 | | Y5S | | Name: | (1S,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | | Formula: | C24 H41 N3 O8 S | | SMILES: | CC(CC(C(=O)NC(C(O)S(=O)(=O)O)CC1CCNC1=O)NC(OCC3CC2CCCC(C2)C3)=O)C | | InChi: | InChI=1S/C24H41N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h14-20,23,30H,3-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19-,20-,23-/m0/s1 | | Definition date: | 2021-02-04 | | Last modified: | 2024-09-27 | | Release date: | 2021-02-17 | | Identifier: | (1S,2S)-2-{[N-({[(3-endo)-bicyclo[3.3.1]nonan-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | NLM | | Name: | 4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid | | Formula: | C11 H9 Cl N2 O5 S2 | | SMILES: | N(S(c1ccc(cc1)S(=O)(=O)O)(=O)=O)c2ncccc2Cl | | InChi: | InChI=1S/C11H9ClN2O5S2/c12-10-2-1-7-13-11(10)14-20(15,16)8-3-5-9(6-4-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19) | | Definition date: | 2019-05-20 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-04 | | Identifier: | 4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid |
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 | | FHU | | Name: | (5S,6R)-5-FLUORO-6-HYDROXY-PSEUDOURIDINE-5'-MONOPHOSPHATE | | Formula: | C9 H14 F N2 O10 P | | SMILES: | O=P(OCC1OC(C(O)C1O)C2(F)C(=O)NC(=O)NC2O)(O)O | | InChi: | InChI=1S/C9H14FN2O10P/c10-9(6(15)11-8(17)12-7(9)16)5-4(14)3(13)2(22-5)1-21-23(18,19)20/h2-6,13-15H,1H2,(H2,18,19,20)(H2,11,12,16,17)/t2-,3-,4-,5-,6-,9+/m1/s1 | | Definition date: | 2001-11-02 | | Last modified: | 2024-09-27 | | Identifier: | (1R)-1,4-anhydro-1-[(4R,5S)-5-fluoro-4-hydroxy-2,6-dioxohexahydropyrimidin-5-yl]-5-O-phosphono-D-ribitol |
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 | | YWZ | | Name: | 4'-[(3,6,9,12-tetraoxapentadec-14-yn-1-yl)oxy][1,1'-biphenyl]-4-yl sulfurofluoridate | | Formula: | C23 H27 F O8 S | | SMILES: | O=S(=O)(Oc1ccc(cc1)c2ccc(OCCOCCOCCOCCOCC#C)cc2)F | | InChi: | InChI=1S/C23H27FO8S/c1-2-11-27-12-13-28-14-15-29-16-17-30-18-19-31-22-7-3-20(4-8-22)21-5-9-23(10-6-21)32-33(24,25)26/h1,3-10H,11-19H2 | | Definition date: | 2016-02-11 | | Last modified: | 2024-09-27 | | Release date: | 2016-06-01 | | Identifier: | 4'-[(3,6,9,12-tetraoxapentadec-14-yn-1-yl)oxy][1,1'-biphenyl]-4-yl sulfurofluoridate |
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 | | NLN | | Name: | NORLEUCINE AMIDE | | Formula: | C6 H14 N2 O | | SMILES: | O=C(N)C(N)CCCC | | InChi: | InChI=1S/C6H14N2O/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H2,8,9)/t5-/m0/s1 | | Synonyms: | 2-AMINO-HEXANOIC ACID AMIDE | | Definition date: | 2000-02-02 | | Last modified: | 2024-09-27 | | Identifier: | L-norleucinamide |
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 | | NLO | | Name: | O-METHYL-L-NORLEUCINE | | Formula: | C7 H15 N O2 | | SMILES: | O=C(OC)C(N)CCCC | | InChi: | InChI=1S/C7H15NO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5,8H2,1-2H3/t6-/m0/s1 | | Definition date: | 2004-01-27 | | Last modified: | 2024-09-27 | | Identifier: | methyl L-norleucinate |
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 | | Y5X | | Name: | 2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide | | Formula: | C12 H7 Cl F N3 O3 | | SMILES: | O=C(Nc1cc(F)cnc1)c1cc(ccc1Cl)[N+]([O-])=O | | InChi: | InChI=1S/C12H7ClFN3O3/c13-11-2-1-9(17(19)20)4-10(11)12(18)16-8-3-7(14)5-15-6-8/h1-6H,(H,16,18) | | Definition date: | 2023-01-05 | | Last modified: | 2024-09-27 | | Release date: | 2024-04-17 | | Identifier: | 2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide |
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 | | NLS | | Name: | 4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid | | Formula: | C11 H9 F N2 O5 S2 | | SMILES: | N(c1nc(F)ccc1)S(c2ccc(S(=O)(=O)O)cc2)(=O)=O | | InChi: | InChI=1S/C11H9FN2O5S2/c12-10-2-1-3-11(13-10)14-20(15,16)8-4-6-9(7-5-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19) | | Definition date: | 2019-05-20 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-04 | | Identifier: | 4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid |
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 | | YJ8 | | Name: | (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(4-iodophenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide | | Formula: | C25 H25 Cl I N3 O4 S | | SMILES: | O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(I)cc3)CC4)C5 | | InChi: | InChI=1S/C25H25ClIN3O4S/c26-19-3-1-2-4-21(19)35(33,34)18-13-20(22(31)29-24(15-28)9-10-24)30(14-18)23(32)25(11-12-25)16-5-7-17(27)8-6-16/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1 | | Definition date: | 2011-05-19 | | Last modified: | 2024-09-27 | | Identifier: | (4R)-4-[(2-chlorophenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-1-{[1-(4-iodophenyl)cyclopropyl]carbonyl}-L-prolinamide |
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 | | YJ9 | | Name: | (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide | | Formula: | C26 H25 Cl F3 N3 O4 S | | SMILES: | O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(cc3)C(F)(F)F)CC4)C5 | | InChi: | InChI=1S/C26H25ClF3N3O4S/c27-19-3-1-2-4-21(19)38(36,37)18-13-20(22(34)32-24(15-31)9-10-24)33(14-18)23(35)25(11-12-25)16-5-7-17(8-6-16)26(28,29)30/h1-8,15,18,20,31H,9-14H2,(H,32,34)/b31-15+/t18-,20+/m1/s1 | | Definition date: | 2011-05-19 | | Last modified: | 2024-09-27 | | Identifier: | (4R)-4-[(2-chlorophenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-1-({1-[4-(trifluoromethyl)phenyl]cyclopropyl}carbonyl)-L-prolinamide |
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 | | NLV | | Name: | 4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid | | Formula: | C11 H9 Cl N2 O5 S2 | | SMILES: | N(c1nc(Cl)ccc1)S(c2ccc(cc2)S(=O)(=O)O)(=O)=O | | InChi: | InChI=1S/C11H9ClN2O5S2/c12-10-2-1-3-11(13-10)14-20(15,16)8-4-6-9(7-5-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19) | | Definition date: | 2019-05-20 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-04 | | Identifier: | 4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid |
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 | | FI3 | | Name: | N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide | | Formula: | C34 H38 Cl2 N8 O4 | | SMILES: | Clc1c(OC)cc(OC)c(Cl)c1NC(=O)N(c2ncnc(c2)Nc3ccc(cc3)N4CCN(C)CC4)Cc5ccc(NC(=O)CC)cc5 | | InChi: | InChI=1S/C34H38Cl2N8O4/c1-5-30(45)40-24-8-6-22(7-9-24)20-44(34(46)41-33-31(35)26(47-3)18-27(48-4)32(33)36)29-19-28(37-21-38-29)39-23-10-12-25(13-11-23)43-16-14-42(2)15-17-43/h6-13,18-19,21H,5,14-17,20H2,1-4H3,(H,40,45)(H,41,46)(H,37,38,39) | | Definition date: | 2014-09-02 | | Last modified: | 2024-09-27 | | Release date: | 2014-10-29 | | Identifier: | N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide |
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 | | YX7 | | Name: | [(1S)-3-amino-1-(hexanoylamino)-3-oxopropyl]boronic acid | | Formula: | C9 H19 B N2 O4 | | SMILES: | O=C(NC(CC(N)=O)B(O)O)CCCCC | | InChi: | InChI=1S/C9H19BN2O4/c1-2-3-4-5-9(14)12-7(10(15)16)6-8(11)13/h7,15-16H,2-6H2,1H3,(H2,11,13)(H,12,14)/t7-/m1/s1 | | Definition date: | 2021-04-05 | | Last modified: | 2024-09-27 | | Release date: | 2022-09-28 | | Identifier: | [(1S)-3-amino-1-(hexanoylamino)-3-oxopropyl]boronic acid |
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 | | NLW | | Name: | L-leucinamide | | Formula: | C6 H14 N2 O | | SMILES: | CC(CC(C(N)=O)N)C | | InChi: | InChI=1S/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1 | | Definition date: | 2016-03-22 | | Last modified: | 2024-09-27 | | Release date: | 2016-08-03 | | Identifier: | L-leucinamide |
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 | | Y62 | | Name: | 2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide | | Formula: | C13 H7 Cl N4 O3 | | SMILES: | O=C(Nc1ccc(cn1)C#N)c1cc(ccc1Cl)[N+]([O-])=O | | InChi: | InChI=1S/C13H7ClN4O3/c14-11-3-2-9(18(20)21)5-10(11)13(19)17-12-4-1-8(6-15)7-16-12/h1-5,7H,(H,16,17,19) | | Definition date: | 2023-01-05 | | Last modified: | 2024-09-27 | | Release date: | 2024-04-17 | | Identifier: | 2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide |
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 | | NLY | | Name: | N-(4-aminobutyl)glycine | | Formula: | C6 H14 N2 O2 | | SMILES: | O=C(O)CNCCCCN | | InChi: | InChI=1S/C6H14N2O2/c7-3-1-2-4-8-5-6(9)10/h8H,1-5,7H2,(H,9,10) | | Definition date: | 2012-10-18 | | Last modified: | 2024-09-27 | | Release date: | 2013-10-09 | | Identifier: | N-(4-aminobutyl)glycine |
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 | | Y63 | | Name: | 4-{(1R,5S)-3-[(7P)-7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}-4-oxobutanoic acid | | Formula: | C37 H37 F N6 O4 | | SMILES: | O=C(O)CCC(=O)N1C2CCC1CN(C2)c1nc(nc2c(F)c(ncc21)c1cccc2cccc(C#C)c21)OCC12CCCN2CCC1 | | InChi: | InChI=1S/C37H37FN6O4/c1-2-23-7-3-8-24-9-4-10-27(31(23)24)33-32(38)34-28(19-39-33)35(41-36(40-34)48-22-37-15-5-17-43(37)18-6-16-37)42-20-25-11-12-26(21-42)44(25)29(45)13-14-30(46)47/h1,3-4,7-10,19,25-26H,5-6,11-18,20-22H2,(H,46,47)/t25-,26+ | | Definition date: | 2023-06-12 | | Last modified: | 2024-09-27 | | Release date: | 2024-03-13 | | Identifier: | 4-{(1R,5S)-3-[(7P)-7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}-4-oxobutanoic acid |
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 | | Y64 | | Name: | (1S,2S)-2-((S)-2-(((((1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | | Formula: | C24 H39 N3 O8 S | | SMILES: | CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CC=C[CH](C1)C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O | | InChi: | InChI=1S/C24H39N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h3-4,14-20,23,30H,5-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19-,20-,23-/m0/s1 | | Definition date: | 2021-02-08 | | Last modified: | 2024-09-27 | | Release date: | 2021-02-17 | | Identifier: | (2~{S})-2-[[(2~{S})-2-[[(1~{R},3~{R},5~{S})-3-bicyclo[3.3.1]non-6-enyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | ZL7 | | Name: | (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name) | | Formula: | C23 H31 F4 N3 O5 S | | SMILES: | OC(C(CC)NC(=O)C(CS(=O)(=O)CC1CC1)NC(c1ccc(F)cc1)C(F)(F)F)C(=O)NC1CC1 | | InChi: | InChI=1S/C23H31F4N3O5S/c1-2-17(19(31)22(33)28-16-9-10-16)30-21(32)18(12-36(34,35)11-13-3-4-13)29-20(23(25,26)27)14-5-7-15(24)8-6-14/h5-8,13,16-20,29,31H,2-4,9-12H2,1H3,(H,28,33)(H,30,32)/t17-,18-,19+,20-/m0/s1 | | Definition date: | 2021-05-04 | | Last modified: | 2024-09-27 | | Release date: | 2021-05-12 | | Identifier: | (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name) |
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 | | YJG | | Name: | 2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenyl)acetamide | | Formula: | C20 H20 Cl N5 O4 S | | SMILES: | O=C(CN1N=CC=C(Cl)C1=O)Nc1ccc(C)c(c1)S(=O)(=O)NCCc1ccccn1 | | InChi: | InChI=1S/C20H20ClN5O4S/c1-14-5-6-16(25-19(27)13-26-20(28)17(21)8-10-23-26)12-18(14)31(29,30)24-11-7-15-4-2-3-9-22-15/h2-6,8-10,12,24H,7,11,13H2,1H3,(H,25,27) | | Definition date: | 2021-03-10 | | Last modified: | 2024-09-27 | | Release date: | 2021-03-17 | | Identifier: | 2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenyl)acetamide |
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 | | YJI | | Name: | N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide | | Formula: | C13 H27 N2 O8 P S | | SMILES: | O=C(NCCSCCO)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O | | InChi: | InChI=1S/C13H27N2O8PS/c1-13(2,9-23-24(20,21)22)11(18)12(19)15-4-3-10(17)14-5-7-25-8-6-16/h11,16,18H,3-9H2,1-2H3,(H,14,17)(H,15,19)(H2,20,21,22)/t11-/m0/s1 | | Definition date: | 2023-02-08 | | Last modified: | 2024-09-27 | | Release date: | 2023-06-14 | | Identifier: | N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide |
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