 | 161 | 表記: | 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID | 組成式: | C20 H20 N2 O9 S | SMILES: | O=C(O)c1cc(ccc1O)S(=O)(=O)NCc2ccc(C(=O)NC(C(=O)C)CC(=O)O)cc2 | InChi: | InChI=1S/C20H20N2O9S/c1-11(23)16(9-18(25)26)22-19(27)13-4-2-12(3-5-13)10-21-32(30,31)14-6-7-17(24)15(8-14)20(28)29/h2-8,16,21,24H,9-10H2,1H3,(H,22,27)(H,25,26)(H,28,29)/t16-/m0/s1 | 定義日: | 2003-01-21 | 最終更新日: | 2024-09-27 | 識別子(ID): | 5-[(4-{[(1S)-1-(carboxymethyl)-2-oxopropyl]carbamoyl}benzyl)sulfamoyl]-2-hydroxybenzoic acid |
|
 | IRY | 表記: | [(2~{S})-2,3-bis(oxidanyl)propyl] 8-hexylselanyloctanoate | 組成式: | C17 H34 O4 Se | SMILES: | CCCCCC[Se]CCCCCCCC(=O)OC[CH](O)CO | InChi: | InChI=1S/C17H34O4Se/c1-2-3-4-9-12-22-13-10-7-5-6-8-11-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3/t16-/m0/s1 | 定義日: | 2023-08-03 | 最終更新日: | 2024-09-27 | 公開日: | 2024-05-15 | 識別子(ID): | [(2~{S})-2,3-bis(oxidanyl)propyl] 8-hexylselanyloctanoate |
|
 | 60H | 表記: | (2~{S})-2-(diphenylmethyl)pyrrolidine | 組成式: | C17 H19 N | SMILES: | C1CN[CH](C1)C(c2ccccc2)c3ccccc3 | InChi: | InChI=1S/C17H19N/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2/t16-/m0/s1 | 定義日: | 2016-01-08 | 最終更新日: | 2024-09-27 | 公開日: | 2016-01-27 | 識別子(ID): | (2~{S})-2-(diphenylmethyl)pyrrolidine |
|
 | 62A | 表記: | 2-(5-AMINO-6-OXO-2-M-TOLYL-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE | 組成式: | C22 H26 N8 O3 S | SMILES: | O=C(c1nccs1)C(NC(=O)CN2C(=NC=C(N)C2=O)c3cccc(c3)C)CCCNC(=[N@H])N | InChi: | InChI=1S/C22H26N8O3S/c1-13-4-2-5-14(10-13)19-28-11-15(23)21(33)30(19)12-17(31)29-16(6-3-7-27-22(24)25)18(32)20-26-8-9-34-20/h2,4-5,8-11,16H,3,6-7,12,23H2,1H3,(H,29,31)(H4,24,25,27)/t16-/m0/s1 | 定義日: | 2005-06-03 | 最終更新日: | 2024-09-27 | 識別子(ID): | 2-[5-amino-2-(3-methylphenyl)-6-oxopyrimidin-1(6H)-yl]-N-[(1S)-4-carbamimidamido-1-(1,3-thiazol-2-ylcarbonyl)butyl]acetamide |
|
 | 632 | 表記: | 2-(5-BENZYLAMINO-2-METHYLSULFANYL-6-OXO-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE | 組成式: | C23 H28 N8 O3 S2 | SMILES: | O=C(c1nccs1)C(NC(=O)CN3C(SC)=NC=C(NCc2ccccc2)C3=O)CCCNC(=[N@H])N | InChi: | InChI=1S/C23H28N8O3S2/c1-35-23-29-13-17(28-12-15-6-3-2-4-7-15)21(34)31(23)14-18(32)30-16(8-5-9-27-22(24)25)19(33)20-26-10-11-36-20/h2-4,6-7,10-11,13,16,28H,5,8-9,12,14H2,1H3,(H,30,32)(H4,24,25,27)/t16-/m0/s1 | 定義日: | 2005-06-03 | 最終更新日: | 2024-09-27 | 識別子(ID): | 2-[5-(benzylamino)-2-(methylsulfanyl)-6-oxopyrimidin-1(6H)-yl]-N-[(1S)-4-carbamimidamido-1-(1,3-thiazol-2-ylcarbonyl)butyl]acetamide |
|
 | 33L | 表記: | N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide | 組成式: | C18 H21 N3 O2 | SMILES: | O=C(NCCN)C(NC(=O)c1ccccc1)Cc2ccccc2 | InChi: | InChI=1S/C18H21N3O2/c19-11-12-20-18(23)16(13-14-7-3-1-4-8-14)21-17(22)15-9-5-2-6-10-15/h1-10,16H,11-13,19H2,(H,20,23)(H,21,22)/t16-/m0/s1 | 別名: | Nalpha-benzoyl-N-[(2Z)-2-iminoethyl]-L-phenylalaninamide, bound form | 定義日: | 2014-06-10 | 最終更新日: | 2024-09-27 | 公開日: | 2015-08-05 | 識別子(ID): | N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide |
|
 | USX | 表記: | 2-[4-[[(2S)-1-ethanoyl-3-oxidanylidene-2H-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide | 組成式: | C20 H20 N2 O5 | SMILES: | COc1cc(C[CH]2N(C(C)=O)c3ccccc3C2=O)ccc1OCC(N)=O | InChi: | InChI=1S/C20H20N2O5/c1-12(23)22-15-6-4-3-5-14(15)20(25)16(22)9-13-7-8-17(18(10-13)26-2)27-11-19(21)24/h3-8,10,16H,9,11H2,1-2H3,(H2,21,24)/t16-/m0/s1 | 定義日: | 2023-06-19 | 最終更新日: | 2024-09-27 | 公開日: | 2024-06-19 | 識別子(ID): | 2-[4-[[(2~{S})-1-ethanoyl-3-oxidanylidene-2~{H}-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide |
|
 | 6A8 | 表記: | ((R)-1-((S)-3-(4-(aminomethyl)phenyl)-2-benzamidopropaneamido)-4-guanidinobutyl)boronic acid, cyclic double ester with glycerol | 組成式: | C25 H35 B N6 O5 | SMILES: | O=C(NC(Cc1ccc(cc1)CN)C(NC(B2OC(CO)CO2)CCCN/C(N)=N)=O)c3ccccc3 | InChi: | InChI=1S/C25H35BN6O5/c27-14-18-10-8-17(9-11-18)13-21(31-23(34)19-5-2-1-3-6-19)24(35)32-22(7-4-12-30-25(28)29)26-36-16-20(15-33)37-26/h1-3,5-6,8-11,20-22,33H,4,7,12-16,27H2,(H,31,34)(H,32,35)(H4,28,29,30)/t20-,21-,22-/m0/s1 | 定義日: | 2016-02-25 | 最終更新日: | 2024-09-27 | 公開日: | 2016-12-14 | 識別子(ID): | 4-(aminomethyl)-Nalpha-(benzenecarbonyl)-N-{(1R)-4-carbamimidamido-1-[(4S)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]butyl}-L-phenylalaninamide |
|
 | V1K | 表記: | 2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole | 組成式: | C15 H13 Cl N2 O3 S | SMILES: | COc1ccc2nc(Cl)n(c2c1)[S](=O)(=O)c3ccc(C)cc3 | InChi: | InChI=1S/C15H13ClN2O3S/c1-10-3-6-12(7-4-10)22(19,20)18-14-9-11(21-2)5-8-13(14)17-15(18)16/h3-9H,1-2H3 | 定義日: | 2021-04-06 | 最終更新日: | 2024-09-27 | 公開日: | 2021-06-09 | 識別子(ID): | 2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole |
|
 | V56 | 表記: | (4S,7S,17S)-17-(3-chlorophenyl)-7-(hydroxymethyl)-4-(2-methylpropyl)-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione | 組成式: | C24 H36 Cl N3 O5 | SMILES: | O=C1OC(CCCCCNC(CCC(NC(C(N1)CC(C)C)=O)CO)=O)c2cc(ccc2)Cl | InChi: | InChI=1S/C24H36ClN3O5/c1-16(2)13-20-23(31)27-19(15-29)10-11-22(30)26-12-5-3-4-9-21(33-24(32)28-20)17-7-6-8-18(25)14-17/h6-8,14,16,19-21,29H,3-5,9-13,15H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)/t19-,20-,21-/m0/s1 | 定義日: | 2016-09-30 | 最終更新日: | 2024-09-27 | 公開日: | 2017-01-11 | 識別子(ID): | (4S,7S,17S)-17-(3-chlorophenyl)-7-(hydroxymethyl)-4-(2-methylpropyl)-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione |
|
 | V64 | 表記: | tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate | 組成式: | C29 H48 N6 O7 | SMILES: | O=C(OC(C)(C)C)NC1C(=O)NC(C(NC(CCC(NCCCCc2nnc(CC1)o2)=O)CO)=O)CC3CCCCC3 | InChi: | InChI=1S/C29H48N6O7/c1-29(2,3)42-28(40)33-21-13-15-25-35-34-24(41-25)11-7-8-16-30-23(37)14-12-20(18-36)31-27(39)22(32-26(21)38)17-19-9-5-4-6-10-19/h19-22,36H,4-18H2,1-3H3,(H,30,37)(H,31,39)(H,32,38)(H,33,40)/t20-,21-,22-/m0/s1 | 定義日: | 2015-08-31 | 最終更新日: | 2024-09-27 | 公開日: | 2016-02-10 | 識別子(ID): | tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate |
|
 | 8FQ | 表記: | ~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1,2-dihydroisoindole-4-carboxamide | 組成式: | C24 H27 F N6 O3 | SMILES: | COc1cccc2n(C)c(nc12)[CH](CCCNC(=N)CF)NC(=O)c3cccc4CNC(=O)c34 | InChi: | InChI=1S/C24H27FN6O3/c1-31-17-9-4-10-18(34-2)21(17)30-22(31)16(8-5-11-27-19(26)12-25)29-23(32)15-7-3-6-14-13-28-24(33)20(14)15/h3-4,6-7,9-10,16H,5,8,11-13H2,1-2H3,(H2,26,27)(H,28,33)(H,29,32)/t16-/m0/s1 | 定義日: | 2017-02-06 | 最終更新日: | 2024-09-27 | 公開日: | 2017-05-24 | 識別子(ID): | ~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1,2-dihydroisoindole-4-carboxamide |
|
 | TQ8 | 表記: | N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide | 組成式: | C17 H18 Cl N O3 S | SMILES: | Cc1ccc(cc1)[S](=O)(=O)N[CH](Cc2ccccc2)C(=O)CCl | InChi: | InChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1 | 別名: | CAS329306 | 定義日: | 2010-11-17 | 最終更新日: | 2024-09-27 | 識別子(ID): | N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide |
|
 | KAQ | 表記: | (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-methylsulfanyl-pyrrolidine-2-carboxamide | 組成式: | C22 H26 N4 O S | SMILES: | CS[CH]1CN[CH](C1)C(=O)N[CH](CN)Cc2ccc(cc2)c3ccc(cc3)C#N | InChi: | InChI=1S/C22H26N4OS/c1-28-20-11-21(25-14-20)22(27)26-19(13-24)10-15-2-6-17(7-3-15)18-8-4-16(12-23)5-9-18/h2-9,19-21,25H,10-11,13-14,24H2,1H3,(H,26,27)/t19-,20-,21-/m0/s1 | 定義日: | 2019-05-08 | 最終更新日: | 2024-09-27 | 公開日: | 2019-08-28 | 識別子(ID): | (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-methylsulfanyl-pyrrolidine-2-carboxamide |
|
 | WGI | 表記: | benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate | 組成式: | C25 H35 N3 O5 | SMILES: | O=C1NCCC1CC(CO)NC(=O)C1CC2(CCCCC2)CN1C(=O)OCc1ccccc1 | InChi: | InChI=1S/C25H35N3O5/c29-15-20(13-19-9-12-26-22(19)30)27-23(31)21-14-25(10-5-2-6-11-25)17-28(21)24(32)33-16-18-7-3-1-4-8-18/h1,3-4,7-8,19-21,29H,2,5-6,9-17H2,(H,26,30)(H,27,31)/t19-,20-,21-/m0/s1 | 定義日: | 2023-05-12 | 最終更新日: | 2024-09-27 | 公開日: | 2023-08-30 | 識別子(ID): | benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate |
|
 | OZI | 表記: | (2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide | 組成式: | C18 H18 Cl3 N3 O2 S | SMILES: | ClCC(=O)N1CCN([CH](C1)C(=O)NCc2sccc2)c3ccc(Cl)c(Cl)c3 | InChi: | InChI=1S/C18H18Cl3N3O2S/c19-9-17(25)23-5-6-24(12-3-4-14(20)15(21)8-12)16(11-23)18(26)22-10-13-2-1-7-27-13/h1-4,7-8,16H,5-6,9-11H2,(H,22,26)/t16-/m0/s1 | 定義日: | 2022-09-28 | 最終更新日: | 2024-09-27 | 公開日: | 2023-08-09 | 識別子(ID): | (2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide |
|
 | CIX | 表記: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-leucinamide | 組成式: | C25 H42 B N3 O6 | SMILES: | O=C(NC(B(O)O)CC(C)C)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C | InChi: | InChI=1S/C25H42BN3O6/c1-16(2)12-20(24(31)29-22(26(33)34)14-18(5)6)27-23(30)21(13-17(3)4)28-25(32)35-15-19-10-8-7-9-11-19/h7-11,16-18,20-22,33-34H,12-15H2,1-6H3,(H,27,30)(H,28,32)(H,29,31)/t20-,21-,22-/m0/s1 | 別名: | MG262 | 定義日: | 2012-08-02 | 最終更新日: | 2024-09-27 | 公開日: | 2013-06-26 | 識別子(ID): | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-leucinamide |
|
 | 00K | 表記: | (1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide | 組成式: | C28 H44 N6 O4 | SMILES: | O=C(NC1CCCCC1)C(O)C(NC(=O)C3N2C(=O)C(N)(CCN2CC3)Cc4ccccc4)CCCCN | InChi: | InChI=1S/C28H44N6O4/c29-16-8-7-13-22(24(35)26(37)31-21-11-5-2-6-12-21)32-25(36)23-14-17-33-18-15-28(30,27(38)34(23)33)19-20-9-3-1-4-10-20/h1,3-4,9-10,21-24,35H,2,5-8,11-19,29-30H2,(H,31,37)(H,32,36)/t22-,23-,24-,28+/m0/s1 | 別名: | MOL-106 | 定義日: | 2010-10-27 | 最終更新日: | 2024-09-27 | 識別子(ID): | (1S,7S)-7-amino-N-[(2S,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide |
|
 | CY0 | 表記: | S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-3-OXOPROPYL}-L-CYSTEINE | 組成式: | C20 H21 N5 O3 S | SMILES: | O=C(O)C(N)CSCCC(=O)Nc3cc1c(ncnc1Nc2ccccc2)cc3 | InChi: | InChI=1S/C20H21N5O3S/c21-16(20(27)28)11-29-9-8-18(26)24-14-6-7-17-15(10-14)19(23-12-22-17)25-13-4-2-1-3-5-13/h1-7,10,12,16H,8-9,11,21H2,(H,24,26)(H,27,28)(H,22,23,25)/t16-/m0/s1 | 定義日: | 2006-09-14 | 最終更新日: | 2024-09-27 | 識別子(ID): | S-(3-oxo-3-{[4-(phenylamino)quinazolin-6-yl]amino}propyl)-L-cysteine |
|
 | X9H | 表記: | N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide | 組成式: | C23 H20 N6 O | SMILES: | C=CC(=O)NC1C=C(C)c2c(c3c(ncnc3N)n2C1)c1cc2ccccc2nc1 | InChi: | InChI=1S/C23H20N6O/c1-3-18(30)28-16-8-13(2)21-19(15-9-14-6-4-5-7-17(14)25-10-15)20-22(24)26-12-27-23(20)29(21)11-16/h3-10,12,16H,1,11H2,2H3,(H,28,30)(H2,24,26,27)/t16-/m0/s1 | 定義日: | 2022-11-07 | 最終更新日: | 2024-09-27 | 公開日: | 2023-11-08 | 識別子(ID): | N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide |
|
 | D8E | 表記: | ~{N}-[(2~{S},5~{S},14~{S})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide | 組成式: | C26 H34 F N5 O6 | SMILES: | CN1CCCC[CH](NC(=O)c2cc(C)on2)C(=O)N[CH](Cc3ccc(F)cc3)C(=O)N[CH](CO)CCC1=O | InChi: | InChI=1S/C26H34FN5O6/c1-16-13-22(31-38-16)26(37)29-20-5-3-4-12-32(2)23(34)11-10-19(15-33)28-25(36)21(30-24(20)35)14-17-6-8-18(27)9-7-17/h6-9,13,19-21,33H,3-5,10-12,14-15H2,1-2H3,(H,28,36)(H,29,37)(H,30,35)/t19-,20-,21-/m0/s1 | 別名: | LIPID FRAGMENT | 定義日: | 2018-01-09 | 最終更新日: | 2024-09-27 | 公開日: | 2018-02-21 | 識別子(ID): | ~{N}-[(2~{S},5~{S},14~{S})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide |
|
 | 4E0 | 表記: | 1-[butyl(fluoranyl)phosphoryl]oxyhexadecane | 組成式: | C20 H42 F O2 P | SMILES: | CCCCCCCCCCCCCCCCO[P](F)(=O)CCCC | InChi: | InChI=1S/C20H42FO2P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24(21,22)20-6-4-2/h3-20H2,1-2H3/t24-/m0/s1 | 定義日: | 2021-07-01 | 最終更新日: | 2024-09-27 | 公開日: | 2021-09-15 | 識別子(ID): | 1-[butyl(fluoranyl)phosphoryl]oxyhexadecane |
|
 | 4J4 | 表記: | S-(2-{[(2',4'-difluorobiphenyl-4-yl)methyl]amino}-2-oxoethyl)-L-cysteine | 組成式: | C18 H18 F2 N2 O3 S | SMILES: | NC(C(=O)O)CSCC(=O)NCc1ccc(cc1)c2c(F)cc(cc2)F | InChi: | InChI=1S/C18H18F2N2O3S/c19-13-5-6-14(15(20)7-13)12-3-1-11(2-4-12)8-22-17(23)10-26-9-16(21)18(24)25/h1-7,16H,8-10,21H2,(H,22,23)(H,24,25)/t16-/m0/s1 | 定義日: | 2015-09-17 | 最終更新日: | 2024-09-27 | 公開日: | 2016-07-27 | 識別子(ID): | S-(2-{[(2',4'-difluorobiphenyl-4-yl)methyl]amino}-2-oxoethyl)-L-cysteine |
|
 | XKM | 表記: | 3-(4-{[(4P)-5-{[(1R)-cyclohex-2-en-1-yl]sulfanyl}-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}-2,6-difluorophenyl)prop-2-yn-1-yl (1-methylpiperidin-4-yl)carbamate | 組成式: | C30 H32 F2 N6 O3 S | SMILES: | CN1CCC(NC(=O)OCC#Cc2c(F)cc(OCc3nnc(SC4C=CCCC4)n3c3cccnc3)cc2F)CC1 | InChi: | InChI=1S/C30H32F2N6O3S/c1-37-14-11-21(12-15-37)34-30(39)40-16-6-10-25-26(31)17-23(18-27(25)32)41-20-28-35-36-29(42-24-8-3-2-4-9-24)38(28)22-7-5-13-33-19-22/h3,5,7-8,13,17-19,21,24H,2,4,9,11-12,14-16,20H2,1H3,(H,34,39)/t24-/m0/s1 | 定義日: | 2023-11-03 | 最終更新日: | 2024-09-23 | 公開日: | 2024-08-21 | 識別子(ID): | 3-(4-{[(4P)-5-{[(1R)-cyclohex-2-en-1-yl]sulfanyl}-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}-2,6-difluorophenyl)prop-2-yn-1-yl (1-methylpiperidin-4-yl)carbamate |
|
 | N60 | 表記: | 2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide | 組成式: | C22 H20 F5 N3 O3 | SMILES: | CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[CH]1C(=O)Nc2ccccc2c3ccccc13 | InChi: | InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1 | 別名: | RO4929097 | 定義日: | 2023-08-22 | 最終更新日: | 2024-08-09 | 公開日: | 2024-08-14 | 識別子(ID): | 2,2-dimethyl-~{N}-[(7~{S})-6-oxidanylidene-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-~{N}'-[2,2,3,3,3-pentakis(fluoranyl)propyl]propanediamide |
|