 | | 6NC | | Name: | 2,2'-oxybis(N-{[4-(3-{2,6-difluoro-3-[(propane-1-sulfonyl)amino]benzoyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl}acetamide) | | Formula: | C52 H46 F4 N8 O9 S2 | | SMILES: | CCCS(=O)(=O)Nc1ccc(F)c(c1F)C(=O)c1c[NH]c2ncc(cc12)c1ccc(cc1)CNC(=O)COCC(=O)NCc1ccc(cc1)c1cc2c(nc1)[NH]cc2C(=O)c1c(F)ccc(NS(=O)(=O)CCC)c1F | | InChi: | InChI=1S/C52H46F4N8O9S2/c1-3-17-74(69,70)63-41-15-13-39(53)45(47(41)55)49(67)37-25-61-51-35(37)19-33(23-59-51)31-9-5-29(6-10-31)21-57-43(65)27-73-28-44(66)58-22-30-7-11-32(12-8-30)34-20-36-38(26-62-52(36)60-24-34)50(68)46-40(54)14-16-42(48(46)56)64-75(71,72)18-4-2/h5-16,19-20,23-26,63-64H,3-4,17-18,21-22,27-28H2,1-2H3,(H,57,65)(H,58,66)(H,59,61)(H,60,62) | | Definition date: | 2016-05-10 | | Last modified: | 2022-10-25 | | Release date: | 2016-09-14 | | Identifier: | 2,2'-oxybis(N-{[4-(3-{2,6-difluoro-3-[(propane-1-sulfonyl)amino]benzoyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl}acetamide) |
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 | | JYX | | Name: | 3-ethylimidazo[4,5-b]pyridin-2-amine | | Formula: | C8 H10 N4 | | SMILES: | CCn1c(N)nc2cccnc12 | | InChi: | InChI=1S/C8H10N4/c1-2-12-7-6(11-8(12)9)4-3-5-10-7/h3-5H,2H2,1H3,(H2,9,11) | | Definition date: | 2022-05-16 | | Last modified: | 2022-10-14 | | Release date: | 2022-10-19 | | Identifier: | 3-ethylimidazo[4,5-b]pyridin-2-amine |
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 | | ID9 | | Name: | (4R)-2,3-dimethyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine | | Formula: | C19 H19 N5 O | | SMILES: | Cn1cc(nc1COc1ccc2nc(C)c(C)n2n1)c1ccccc1 | | InChi: | InChI=1S/C19H19N5O/c1-13-14(2)24-17(20-13)9-10-19(22-24)25-12-18-21-16(11-23(18)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3 | | Definition date: | 2022-01-25 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (4R)-2,3-dimethyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine |
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 | | IG6 | | Name: | (4S)-3-methyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine | | Formula: | C20 H18 F3 N5 | | SMILES: | FC(F)(F)c1nc2ccc(nn2c1C)CCc1nc(cn1C)c1ccccc1 | | InChi: | InChI=1S/C20H18F3N5/c1-13-19(20(21,22)23)25-18-11-9-15(26-28(13)18)8-10-17-24-16(12-27(17)2)14-6-4-3-5-7-14/h3-7,9,11-12H,8,10H2,1-2H3 | | Definition date: | 2022-01-25 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (4S)-3-methyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine |
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 | | IIR | | Name: | {(4S)-2-cyclopropyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl}methanol | | Formula: | C22 H19 N5 O | | SMILES: | Cn1cc(nc1C#Cc1ccc2nc(c(CO)n2n1)C1CC1)c1ccccc1 | | InChi: | InChI=1S/C22H19N5O/c1-26-13-18(15-5-3-2-4-6-15)23-20(26)11-9-17-10-12-21-24-22(16-7-8-16)19(14-28)27(21)25-17/h2-6,10,12-13,16,28H,7-8,14H2,1H3 | | Definition date: | 2022-01-25 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | {(4S)-2-cyclopropyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl}methanol |
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 | | IJ0 | | Name: | (4S)-2-(difluoromethyl)-3-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazine | | Formula: | C20 H15 F2 N5 | | SMILES: | FC(F)c1nc2ccc(nn2c1C)C#Cc1nc(cn1C)c1ccccc1 | | InChi: | InChI=1S/C20H15F2N5/c1-13-19(20(21)22)24-18-11-9-15(25-27(13)18)8-10-17-23-16(12-26(17)2)14-6-4-3-5-7-14/h3-7,9,11-12,20H,1-2H3 | | Definition date: | 2022-01-26 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (4S)-2-(difluoromethyl)-3-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazine |
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 | | IJH | | Name: | (4S)-2,3-dimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine | | Formula: | C20 H21 N5 | | SMILES: | Cn1cc(nc1CCc1ccc2nc(C)c(C)n2n1)c1ccccc1 | | InChi: | InChI=1S/C20H21N5/c1-14-15(2)25-20(21-14)12-10-17(23-25)9-11-19-22-18(13-24(19)3)16-7-5-4-6-8-16/h4-8,10,12-13H,9,11H2,1-3H3 | | Definition date: | 2022-01-26 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (4S)-2,3-dimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine |
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 | | IK0 | | Name: | (4S)-N,2,3-trimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}imidazo[1,2-b]pyridazine-8-carboxamide | | Formula: | C19 H26 N8 O | | SMILES: | Cn1nc(nc1CCc1cc(C(=O)NC)c2nc(C)c(C)n2n1)N1CCCC1 | | InChi: | InChI=1S/C19H26N8O/c1-12-13(2)27-17(21-12)15(18(28)20-3)11-14(23-27)7-8-16-22-19(24-25(16)4)26-9-5-6-10-26/h11H,5-10H2,1-4H3,(H,20,28) | | Definition date: | 2022-01-26 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (4S)-N,2,3-trimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}imidazo[1,2-b]pyridazine-8-carboxamide |
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 | | IKH | | Name: | {(4S)-2-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl}methanol | | Formula: | C20 H17 N5 O | | SMILES: | Cn1cc(nc1C#Cc1ccc2nc(C)c(CO)n2n1)c1ccccc1 | | InChi: | InChI=1S/C20H17N5O/c1-14-18(13-26)25-20(21-14)11-9-16(23-25)8-10-19-22-17(12-24(19)2)15-6-4-3-5-7-15/h3-7,9,11-12,26H,13H2,1-2H3 | | Definition date: | 2022-01-26 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | {(4S)-2-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl}methanol |
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 | | IY6 | | Name: | (4S)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-7-(trifluoromethyl)imidazo[1,2-b]pyridazine | | Formula: | C18 H22 F3 N7 | | SMILES: | Cn1nc(nc1CCc1nn2c(C)c(C)nc2cc1C(F)(F)F)N1CCCC1 | | InChi: | InChI=1S/C18H22F3N7/c1-11-12(2)28-16(22-11)10-13(18(19,20)21)14(24-28)6-7-15-23-17(25-26(15)3)27-8-4-5-9-27/h10H,4-9H2,1-3H3 | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (4S)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-7-(trifluoromethyl)imidazo[1,2-b]pyridazine |
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 | | J2L | | Name: | (4S)-8-(methanesulfonyl)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}imidazo[1,2-b]pyridazine | | Formula: | C18 H25 N7 O2 S | | SMILES: | Cn1nc(nc1CCc1cc(c2nc(C)c(C)n2n1)S(C)(=O)=O)N1CCCC1 | | InChi: | InChI=1S/C18H25N7O2S/c1-12-13(2)25-17(19-12)15(28(4,26)27)11-14(21-25)7-8-16-20-18(22-23(16)3)24-9-5-6-10-24/h11H,5-10H2,1-4H3 | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (4S)-8-(methanesulfonyl)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}imidazo[1,2-b]pyridazine |
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 | | JHI | | Name: | (4R)-6-chloro-2,3-dimethyl-8-(pyrrolidin-1-yl)imidazo[1,2-b]pyridazine | | Formula: | C12 H15 Cl N4 | | SMILES: | Cc1c(C)nc2c(cc(Cl)nn12)N1CCCC1 | | InChi: | InChI=1S/C12H15ClN4/c1-8-9(2)17-12(14-8)10(7-11(13)15-17)16-5-3-4-6-16/h7H,3-6H2,1-2H3 | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (4R)-6-chloro-2,3-dimethyl-8-(pyrrolidin-1-yl)imidazo[1,2-b]pyridazine |
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 | | JNU | | Name: | (4R)-3-methyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-2-(trifluoromethyl)imidazo[1,2-b]pyridazine | | Formula: | C17 H20 F3 N7 | | SMILES: | Cn1nc(nc1CCc1ccc2nc(c(C)n2n1)C(F)(F)F)N1CCCC1 | | InChi: | InChI=1S/C17H20F3N7/c1-11-15(17(18,19)20)21-14-8-6-12(23-27(11)14)5-7-13-22-16(24-25(13)2)26-9-3-4-10-26/h6,8H,3-5,7,9-10H2,1-2H3 | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (4R)-3-methyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-2-(trifluoromethyl)imidazo[1,2-b]pyridazine |
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 | | JOF | | Name: | 5-chloro-8-hydroxy-2-methyl-1,4-dihydropyrrolo[3,4-b]indol-3(2H)-one | | Formula: | C11 H9 Cl N2 O2 | | SMILES: | O=C1c2[NH]c3c(Cl)ccc(O)c3c2CN1C | | InChi: | InChI=1S/C11H9ClN2O2/c1-14-4-5-8-7(15)3-2-6(12)10(8)13-9(5)11(14)16/h2-3,13,15H,4H2,1H3 | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 5-chloro-8-hydroxy-2-methyl-1,4-dihydropyrrolo[3,4-b]indol-3(2H)-one |
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 | | K40 | | Name: | 5,8-dichloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one | | Formula: | C11 H8 Cl2 N2 O | | SMILES: | O=C1NCCc2c1[NH]c1c(Cl)ccc(Cl)c12 | | InChi: | InChI=1S/C11H8Cl2N2O/c12-6-1-2-7(13)10-8(6)5-3-4-14-11(16)9(5)15-10/h1-2,15H,3-4H2,(H,14,16) | | Definition date: | 2022-02-02 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 5,8-dichloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one |
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 | | KDX | | Name: | 9-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one | | Formula: | C11 H9 N3 O2 | | SMILES: | COc1cccc2[NH]c3c(N=CNC3=O)c21 | | InChi: | InChI=1S/C11H9N3O2/c1-16-7-4-2-3-6-8(7)9-10(14-6)11(15)13-5-12-9/h2-5,14H,1H3,(H,12,13,15) | | Definition date: | 2022-02-03 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 9-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
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 | | 86K | | Name: | 2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one | | Formula: | C21 H22 N4 O | | SMILES: | O=C(CN(C)c1ccccc1)N1CC=C(CC1)c1c[NH]c2ncccc12 | | InChi: | InChI=1S/C21H22N4O/c1-24(17-6-3-2-4-7-17)15-20(26)25-12-9-16(10-13-25)19-14-23-21-18(19)8-5-11-22-21/h2-9,11,14H,10,12-13,15H2,1H3,(H,22,23) | | Definition date: | 2021-09-08 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | 2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one |
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 | | 86Z | | Name: | pyridin-2-ylboronic acid | | Formula: | C5 H6 B N O2 | | SMILES: | OB(O)c1ccccn1 | | InChi: | InChI=1S/C5H6BNO2/c8-6(9)5-3-1-2-4-7-5/h1-4,8-9H | | Synonyms: | 2-Pyridineboronic acid | | Definition date: | 2021-10-04 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | pyridin-2-ylboronic acid |
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 | | PWL | | Name: | 6-bromo-1H-pyrrolo[3,2-b]pyridin-5-amine | | Formula: | C7 H6 Br N3 | | SMILES: | Brc1cc2[NH]ccc2nc1N | | InChi: | InChI=1S/C7H6BrN3/c8-4-3-6-5(1-2-10-6)11-7(4)9/h1-3,10H,(H2,9,11) | | Definition date: | 2022-05-31 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | 6-bromo-1H-pyrrolo[3,2-b]pyridin-5-amine |
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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: | 2022-09-23 | | Release date: | 2022-09-28 | | Identifier: | [(1S)-3-amino-1-(hexanoylamino)-3-oxopropyl]boronic acid |
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 | | NX0 | | Name: | 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one | | Formula: | C10 H12 N2 O2 | | SMILES: | CCC(=O)N1CCOc2ncccc12 | | InChi: | InChI=1S/C10H12N2O2/c1-2-9(13)12-6-7-14-10-8(12)4-3-5-11-10/h3-5H,2,6-7H2,1H3 | | Synonyms: | 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)prop-2-en-1-one (precursor) | | Definition date: | 2022-08-24 | | Last modified: | 2022-09-23 | | Release date: | 2022-09-28 | | Identifier: | 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one |
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 | | M3U | | Name: | (2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide | | Formula: | C14 H15 F2 N5 O3 | | SMILES: | CNC(=O)[CH]1C[CH](CN1C(=O)c2cnc3c[nH]nc3c2)OC(F)F | | InChi: | InChI=1S/C14H15F2N5O3/c1-17-12(22)11-3-8(24-14(15)16)6-21(11)13(23)7-2-9-10(18-4-7)5-19-20-9/h2,4-5,8,11,14H,3,6H2,1H3,(H,17,22)(H,19,20)/t8-,11+/m0/s1 | | Definition date: | 2022-07-21 | | Last modified: | 2022-09-09 | | Release date: | 2022-09-14 | | Identifier: | (2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide |
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 | | NRR | | Name: | 3-(dimethylamino)-1-[3-[4-(4-methylpiperazin-1-yl)phenyl]-9~{H}-pyrido[2,3-b]indol-6-yl]prop-2-en-1-one | | Formula: | C27 H29 N5 O | | SMILES: | CN(C)C=CC(=O)c1ccc2[nH]c3ncc(cc3c2c1)c4ccc(cc4)N5CCN(C)CC5 | | InChi: | InChI=1S/C27H29N5O/c1-30(2)11-10-26(33)20-6-9-25-23(16-20)24-17-21(18-28-27(24)29-25)19-4-7-22(8-5-19)32-14-12-31(3)13-15-32/h4-11,16-18H,12-15H2,1-3H3,(H,28,29)/b11-10- | | Definition date: | 2022-08-18 | | Last modified: | 2022-09-09 | | Release date: | 2022-09-14 | | Identifier: | 3-(dimethylamino)-1-[3-[4-(4-methylpiperazin-1-yl)phenyl]-9~{H}-pyrido[2,3-b]indol-6-yl]prop-2-en-1-one |
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 | | 1IV | | Name: | [(2~{R},4~{S})-4-[2-(aminomethyl)imidazol-1-yl]-2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-2-yl]pyrrolidin-1-yl]-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)methanone | | Formula: | C32 H30 Cl N7 O | | SMILES: | Cc1ccc2n(Cc3ccc(Cl)cc3)c(cc2c1)[CH]4C[CH](CN4C(=O)c5cnc6[nH]ccc6c5)n7ccnc7CN | | InChi: | InChI=1S/C32H30ClN7O/c1-20-2-7-27-23(12-20)14-28(39(27)18-21-3-5-25(33)6-4-21)29-15-26(38-11-10-35-30(38)16-34)19-40(29)32(41)24-13-22-8-9-36-31(22)37-17-24/h2-14,17,26,29H,15-16,18-19,34H2,1H3,(H,36,37)/t26-,29+/m0/s1 | | Definition date: | 2022-01-24 | | Last modified: | 2022-08-26 | | Release date: | 2022-08-31 | | Identifier: | [(2~{R},4~{S})-4-[2-(aminomethyl)imidazol-1-yl]-2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-2-yl]pyrrolidin-1-yl]-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)methanone |
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 | | YUA | | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(2-ethylbutyl)[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate | | Formula: | C32 H44 N2 O8 S | | SMILES: | OC1CCc2cc(ccc21)S(=O)(=O)N(CC(CC)CC)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12 | | InChi: | InChI=1S/C32H44N2O8S/c1-3-21(4-2)18-34(43(38,39)24-11-12-25-23(17-24)10-13-28(25)35)19-29(36)27(16-22-8-6-5-7-9-22)33-32(37)42-30-20-41-31-26(30)14-15-40-31/h5-9,11-12,17,21,26-31,35-36H,3-4,10,13-16,18-20H2,1-2H3,(H,33,37)/t26-,27-,28-,29+,30-,31+/m0/s1 | | Definition date: | 2021-03-31 | | Last modified: | 2022-08-26 | | Release date: | 2022-08-31 | | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(2-ethylbutyl)[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
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