 | | Q6Q | | Name: | 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid | | Formula: | C32 H31 Cl N4 O5 | | SMILES: | COc1cccc(OC)c1c2cc(nn2c3ccnc4cc(Cl)ccc34)C(=O)NC5(C6CC7CC(C6)CC5C7)C(O)=O | | InChi: | InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)/t17-,18+,19-,20+,32- | | Definition date: | 2020-05-26 | | Last modified: | 2021-02-05 | | Release date: | 2021-02-10 | | Identifier: | 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid |
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 | | KKL | | Name: | 4-amino-N-[5-(4-ethynylphenyl)-1,3,4-oxadiazol-2-yl]benzamide | | Formula: | C17 H12 N4 O2 | | SMILES: | c1cc(ccc1C(Nc3nnc(c2ccc(cc2)C#C)o3)=O)N | | InChi: | InChI=1S/C17H12N4O2/c1-2-11-3-5-13(6-4-11)16-20-21-17(23-16)19-15(22)12-7-9-14(18)10-8-12/h1,3-10H,18H2,(H,19,21,22) | | Definition date: | 2019-04-19 | | Last modified: | 2021-02-05 | | Release date: | 2021-02-10 | | Identifier: | 4-amino-N-[5-(4-ethynylphenyl)-1,3,4-oxadiazol-2-yl]benzamide |
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 | | RJB | | Name: | 2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid | | Formula: | C20 H18 N2 O3 S | | SMILES: | OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc3sc4ccccc4n3 | | InChi: | InChI=1S/C20H18N2O3S/c23-18(24)11-20(9-13-5-1-2-6-14(13)10-20)19(25)21-12-17-22-15-7-3-4-8-16(15)26-17/h1-8H,9-12H2,(H,21,25)(H,23,24) | | Definition date: | 2020-09-30 | | Last modified: | 2021-02-05 | | Release date: | 2021-02-10 | | Identifier: | 2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid |
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 | | SR5 | | Name: | (2~{S})-2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid | | Formula: | C27 H27 Cl N4 O5 | | SMILES: | COc1cccc(OC)c1c2cc(nn2c3ccnc4cc(Cl)ccc34)C(=O)N[CH](CC(C)C)C(O)=O | | InChi: | InChI=1S/C27H27ClN4O5/c1-15(2)12-20(27(34)35)30-26(33)19-14-22(25-23(36-3)6-5-7-24(25)37-4)32(31-19)21-10-11-29-18-13-16(28)8-9-17(18)21/h5-11,13-15,20H,12H2,1-4H3,(H,30,33)(H,34,35)/t20-/m0/s1 | | Definition date: | 2020-06-08 | | Last modified: | 2021-02-05 | | Release date: | 2021-02-10 | | Identifier: | (2~{S})-2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid |
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 | | SR9 | | Name: | (2~{S})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid | | Formula: | C24 H23 N3 O5 S | | SMILES: | CC(C)C[CH](NC(=O)c1cn(c2ccccc12)[S](=O)(=O)c3cccc4cccnc34)C(O)=O | | InChi: | InChI=1S/C24H23N3O5S/c1-15(2)13-19(24(29)30)26-23(28)18-14-27(20-10-4-3-9-17(18)20)33(31,32)21-11-5-7-16-8-6-12-25-22(16)21/h3-12,14-15,19H,13H2,1-2H3,(H,26,28)(H,29,30)/t19-/m0/s1 | | Definition date: | 2020-06-04 | | Last modified: | 2021-02-05 | | Release date: | 2021-02-10 | | Identifier: | (2~{S})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid |
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 | | QCB | | Name: | (2~{S},3~{R})-2-[2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoylamino]-3-oxidanyl-butanoic acid | | Formula: | C16 H23 N6 O10 P | | SMILES: | C[CH](O)[CH](NC(=O)C[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O | | InChi: | InChI=1S/C16H23N6O10P/c1-6(23)9(16(27)28)21-8(24)3-33(29,30)31-2-7-11(25)12(26)15(32-7)22-5-20-10-13(17)18-4-19-14(10)22/h4-7,9,11-12,15,23,25-26H,2-3H2,1H3,(H,21,24)(H,27,28)(H,29,30)(H2,17,18,19)/t6-,7-,9+,11-,12-,15-/m1/s1 | | Definition date: | 2020-06-04 | | Last modified: | 2021-02-05 | | Release date: | 2021-02-10 | | Identifier: | (2~{S},3~{R})-2-[2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoylamino]-3-oxidanyl-butanoic acid |
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 | | EWO | | Name: | (4R)-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine | | Formula: | C12 H12 F N3 | | SMILES: | Fc1ccc(cc1)[CH]2NCCc3[nH]cnc23 | | InChi: | InChI=1S/C12H12FN3/c13-9-3-1-8(2-4-9)11-12-10(5-6-14-11)15-7-16-12/h1-4,7,11,14H,5-6H2,(H,15,16)/t11-/m1/s1 | | Definition date: | 2020-02-12 | | Last modified: | 2021-02-05 | | Release date: | 2021-02-10 | | Identifier: | (4~{R})-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1~{H}-imidazo[4,5-c]pyridine |
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 | | GE0 | | Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(2-oxidanylideneheptadecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate | | Formula: | C38 H68 N7 O17 P3 S | | SMILES: | CCCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 | | InChi: | InChI=1S/C38H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(46)23-66-21-20-40-29(47)18-19-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-22-28-32(61-63(51,52)53)31(48)37(60-28)45-26-44-30-34(39)42-25-43-35(30)45/h25-26,28,31-33,37,48-49H,4-24H2,1-3H3,(H,40,47)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t28-,31-,32-,33+,37-/m1/s1 | | Definition date: | 2020-08-20 | | Last modified: | 2021-02-05 | | Release date: | 2021-02-10 | | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(2-oxidanylideneheptadecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate |
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 | | H1X | | Name: | 2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid | | Formula: | C18 H21 N O4 S | | SMILES: | Cc1ccc(cc1[S](=O)(=O)Nc2ccccc2C(O)=O)C(C)(C)C | | InChi: | InChI=1S/C18H21NO4S/c1-12-9-10-13(18(2,3)4)11-16(12)24(22,23)19-15-8-6-5-7-14(15)17(20)21/h5-11,19H,1-4H3,(H,20,21) | | Definition date: | 2020-10-26 | | Last modified: | 2021-02-05 | | Release date: | 2021-02-10 | | Identifier: | 2-[(5-~{tert}-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid |
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 | | H29 | | Name: | 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine | | Formula: | C12 H13 N3 S | | SMILES: | Nc1ccc(nc1)N2CCc3sccc3C2 | | InChi: | InChI=1S/C12H13N3S/c13-10-1-2-12(14-7-10)15-5-3-11-9(8-15)4-6-16-11/h1-2,4,6-7H,3,5,8,13H2 | | Definition date: | 2020-10-26 | | Last modified: | 2021-02-05 | | Release date: | 2021-02-10 | | Identifier: | 6-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine |
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 | | H2X | | Name: | 4-bromanyl-2-[[2-[(E)-1-(3-methoxyphenyl)ethylideneamino]propan-2-ylamino]methyl]phenol | | Formula: | C19 H23 Br N2 O2 | | SMILES: | COc1cccc(c1)C(C)=NC(C)(C)NCc2cc(Br)ccc2O | | InChi: | InChI=1S/C19H23BrN2O2/c1-13(14-6-5-7-17(11-14)24-4)22-19(2,3)21-12-15-10-16(20)8-9-18(15)23/h5-11,21,23H,12H2,1-4H3/b22-13+ | | Definition date: | 2020-10-28 | | Last modified: | 2021-02-05 | | Release date: | 2021-02-10 | | Identifier: | 4-bromanyl-2-[[2-[(~{E})-1-(3-methoxyphenyl)ethylideneamino]propan-2-ylamino]methyl]phenol |
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 | | H30 | | Name: | 5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl)spiro[cyclobutane-1,3'-indole]-2'-amine | | Formula: | C19 H25 N3 O | | SMILES: | COc1cc2c(cc1C3=CCN(C)CCC3)N=C(N)C24CCC4 | | InChi: | InChI=1S/C19H25N3O/c1-22-9-3-5-13(6-10-22)14-11-16-15(12-17(14)23-2)19(7-4-8-19)18(20)21-16/h6,11-12H,3-5,7-10H2,1-2H3,(H2,20,21) | | Definition date: | 2020-10-29 | | Last modified: | 2021-02-05 | | Release date: | 2021-02-10 | | Identifier: | 5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl)spiro[cyclobutane-1,3'-indole]-2'-amine |
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 | | XWS | | Name: | (2R,4R)-1-phenylhexahydropyrimidine-2,4-diol | | Formula: | C10 H14 N2 O2 | | SMILES: | N1(CCC(NC1O)O)c2ccccc2 | | InChi: | InChI=1S/C10H14N2O2/c13-9-6-7-12(10(14)11-9)8-4-2-1-3-5-8/h1-5,9-11,13-14H,6-7H2/t9-,10-/m1/s1 | | Definition date: | 2021-01-18 | | Last modified: | 2021-01-29 | | Release date: | 2021-02-03 | | Identifier: | (2R,4R)-1-phenylhexahydropyrimidine-2,4-diol |
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 | | OCK | | Name: | (3~{R})-4-ethyl-3-methyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione | | Formula: | C15 H20 N2 O2 | | SMILES: | CCC[C]1(C)N(CC)C(=O)c2ccccc2NC1=O | | InChi: | InChI=1S/C15H20N2O2/c1-4-10-15(3)14(19)16-12-9-7-6-8-11(12)13(18)17(15)5-2/h6-9H,4-5,10H2,1-3H3,(H,16,19)/t15-/m1/s1 | | Definition date: | 2020-02-27 | | Last modified: | 2021-01-29 | | Release date: | 2021-02-03 | | Identifier: | (3~{R})-4-ethyl-3-methyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione |
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 | | OD8 | | Name: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[[(1~{S},3~{R},6~{S},7~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(me
thoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradecanyl]oxy]oxane-3,4,5-triol | | Formula: | C27 H48 O8 | | SMILES: | COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]4[CH](CC[C]4(C)C[CH]12)C(C)C | | InChi: | InChI=1S/C27H48O8/c1-13(2)16-8-9-27(4)10-18-15(12-33-5)6-7-17(18)14(3)21(29)25(20(16)27)35-26-24(32)23(31)22(30)19(11-28)34-26/h13-26,28-32H,6-12H2,1-5H3/t14-,15-,16+,17+,18-,19-,20-,21-,22-,23+,24-,25-,26-,27-/m1/s1 | | Synonyms: | 16-OMe-Fusicoccin H | | Definition date: | 2020-02-27 | | Last modified: | 2021-01-29 | | Release date: | 2021-02-03 | | Identifier: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[[(1~{S},3~{R},6~{S},7~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(methoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradecanyl]oxy]oxane-3,4,5-triol |
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 | | VB4 | | Name: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-tryptophan | | Formula: | C19 H20 N3 O7 P | | SMILES: | n1cc(c(c(c1C)O)[C@H]=NC(C(O)=O)Cc3c2ccccc2nc3)COP(O)(=O)O | | InChi: | InChI=1S/C19H20N3O7P/c1-11-18(23)15(13(8-20-11)10-29-30(26,27)28)9-22-17(19(24)25)6-12-7-21-16-5-3-2-4-14(12)16/h2-5,7-9,17,21,23H,6,10H2,1H3,(H,24,25)(H2,26,27,28)/b22-9+/t17-/m1/s1 | | Definition date: | 2020-07-22 | | Last modified: | 2021-01-29 | | Release date: | 2021-02-03 | | Identifier: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-tryptophan |
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 | | VCP | | Name: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine | | Formula: | C19 H20 N3 O8 P | | SMILES: | C(c1cnc(c(c1[C@H]=NC(CC3c2ccccc2NC3=O)C(O)=O)O)C)OP(O)(O)=O | | InChi: | InChI=1S/C19H20N3O8P/c1-10-17(23)14(11(7-20-10)9-30-31(27,28)29)8-21-16(19(25)26)6-13-12-4-2-3-5-15(12)22-18(13)24/h2-5,7-8,13,16,23H,6,9H2,1H3,(H,22,24)(H,25,26)(H2,27,28,29)/b21-8+/t13-,16?/m0/s1 | | Definition date: | 2020-07-28 | | Last modified: | 2021-01-29 | | Release date: | 2021-02-03 | | Identifier: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine |
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 | | VCS | | Name: | 4-[(E)-({1-carboxy-2-[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate | | Formula: | C19 H20 N3 O8 P | | SMILES: | C(c1c[nH+]c(c(c1[C@H]=[NH+][C-](CC3c2ccccc2NC3=O)C(=O)O)[O-])C)OP(=O)(O)O | | InChi: | InChI=1S/C19H20N3O8P/c1-10-17(23)14(11(7-20-10)9-30-31(27,28)29)8-21-16(19(25)26)6-13-12-4-2-3-5-15(12)22-18(13)24/h2-5,7-8,13,21,23H,6,9H2,1H3,(H,22,24)(H,25,26)(H2,27,28,29)/b21-8+/t13-/m0/s1 | | Definition date: | 2020-07-29 | | Last modified: | 2021-01-29 | | Release date: | 2021-02-03 | | Identifier: | 4-[(E)-({1-carboxy-2-[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate |
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 | | X54 | | Name: | 1-({4-[(3-aminopropyl)amino]butyl}amino)ethane-1,1-diol | | Formula: | C9 H23 N3 O2 | | SMILES: | C(CCNCCCCNC(C)(O)O)N | | InChi: | InChI=1S/C9H23N3O2/c1-9(13,14)12-8-3-2-6-11-7-4-5-10/h11-14H,2-8,10H2,1H3 | | Definition date: | 2020-11-30 | | Last modified: | 2021-01-29 | | Release date: | 2021-02-03 | | Identifier: | 1-({4-[(3-aminopropyl)amino]butyl}amino)ethane-1,1-diol |
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 | | U57 | | Name: | (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol | | Formula: | C14 H20 F N5 O | | SMILES: | C(CC)CC(CO)(C)Nc2c1c(cc(cn1)F)nc(n2)N | | InChi: | InChI=1S/C14H20FN5O/c1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11/h6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20)/t14-/m1/s1 | | Definition date: | 2020-04-22 | | Last modified: | 2021-01-29 | | Release date: | 2021-02-03 | | Identifier: | (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol |
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 | | VE4 | | Name: | 4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate | | Formula: | C19 H20 N3 O9 P | | SMILES: | C(c1c[nH+]c(c(c1[C@H]=[NH+][C-](CC3(O)c2ccccc2NC3=O)C(O)=O)[O-])C)OP(O)(=O)O | | InChi: | InChI=1S/C19H20N3O9P/c1-10-16(23)12(11(7-20-10)9-31-32(28,29)30)8-21-15(17(24)25)6-19(27)13-4-2-3-5-14(13)22-18(19)26/h2-5,7-8,21,23,27H,6,9H2,1H3,(H,22,26)(H,24,25)(H2,28,29,30)/b21-8+/t19-/m1/s1 | | Definition date: | 2020-07-31 | | Last modified: | 2021-01-29 | | Release date: | 2021-02-03 | | Identifier: | 4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate |
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 | | RQA | | Name: | 5'-O-sulfocytidine | | Formula: | C9 H13 N3 O8 S | | SMILES: | C1(N=C(N)C=CN1C2C(O)C(C(COS(=O)(=O)O)O2)O)=O | | InChi: | InChI=1S/C9H13N3O8S/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H,16,17,18)/t4-,6-,7-,8-/m1/s1 | | Definition date: | 2020-02-20 | | Last modified: | 2021-01-29 | | Release date: | 2021-02-03 | | Identifier: | 5'-O-sulfocytidine |
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 | | X9D | | Name: | 4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate | | Formula: | C19 H20 N3 O9 P | | SMILES: | C(c1c[nH+]c(c(c1[C@H]=[NH+][C-](CC3(O)c2ccccc2NC3=O)C(O)=O)[O-])C)OP(O)(=O)O | | InChi: | InChI=1S/C19H20N3O9P/c1-10-16(23)12(11(7-20-10)9-31-32(28,29)30)8-21-15(17(24)25)6-19(27)13-4-2-3-5-14(13)22-18(19)26/h2-5,7-8,21,23,27H,6,9H2,1H3,(H,22,26)(H,24,25)(H2,28,29,30)/b21-8+/t19-/m1/s1 | | Definition date: | 2020-12-07 | | Last modified: | 2021-01-29 | | Release date: | 2021-02-03 | | Identifier: | 4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate |
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 | | VK4 | | Name: | (4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid | | Formula: | C30 H36 Cl2 N2 O5 | | SMILES: | c1(cc(Cl)cc(c1Cl)OC2CC(N(CC2)C(C3CCCC3)=O)C)NC(=O)CC(c4ccccc4)CCC(O)=O | | InChi: | InChI=1S/C30H36Cl2N2O5/c1-19-15-24(13-14-34(19)30(38)21-9-5-6-10-21)39-26-18-23(31)17-25(29(26)32)33-27(35)16-22(11-12-28(36)37)20-7-3-2-4-8-20/h2-4,7-8,17-19,21-22,24H,5-6,9-16H2,1H3,(H,33,35)(H,36,37)/t19-,22-,24-/m1/s1 | | Definition date: | 2020-08-19 | | Last modified: | 2021-01-29 | | Release date: | 2021-02-03 | | Identifier: | (4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid |
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 | | R7M | | Name: | (2R)-2-hydroxy-7-methoxy-2-(pentafluoroethyl)-2,3-dihydro-4H-1-benzopyran-4-one | | Formula: | C12 H9 F5 O4 | | SMILES: | C2(CC(=O)c1c(cc(cc1)OC)O2)(C(F)(F)C(F)(F)F)O | | InChi: | InChI=1S/C12H9F5O4/c1-20-6-2-3-7-8(18)5-10(19,21-9(7)4-6)11(13,14)12(15,16)17/h2-4,19H,5H2,1H3/t10-/m1/s1 | | Definition date: | 2020-02-06 | | Last modified: | 2021-01-29 | | Release date: | 2021-02-03 | | Identifier: | (2R)-2-hydroxy-7-methoxy-2-(pentafluoroethyl)-2,3-dihydro-4H-1-benzopyran-4-one |
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