 | W2L | 表記: | (4~{S},6~{S})-4,6-dimethyloctanoic acid | 組成式: | C10 H20 O2 | SMILES: | CC[CH](C)C[CH](C)CCC(O)=O | InChi: | InChI=1S/C10H20O2/c1-4-8(2)7-9(3)5-6-10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)/t8-,9-/m0/s1 | 定義日: | 2022-07-05 | 最終更新日: | 2023-07-07 | 公開日: | 2023-07-12 | 識別子(ID): | (4~{S},6~{S})-4,6-dimethyloctanoic acid |
|
 | ZH0 | 表記: | N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | 組成式: | C21 H29 N3 O5 | SMILES: | CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCNC1=O)C=O | InChi: | InChI=1S/C21H29N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,12,14,16-18H,8-11,13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1 | 定義日: | 2023-03-09 | 最終更新日: | 2023-07-07 | 公開日: | 2023-07-12 | 識別子(ID): | N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
|
 | UU0 | 表記: | 9,11-epoxy-17-hydroxypregn-4-ene-3,20-dione actate | 組成式: | C24 H32 O6 | SMILES: | C[CH]1C[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[C]35O[CH]5C[C]2(C)[C]1(O)C(=O)COC(C)=O | InChi: | InChI=1S/C24H32O6/c1-13-9-18-17-6-5-15-10-16(26)7-8-21(15,3)24(17)20(30-24)11-22(18,4)23(13,28)19(27)12-29-14(2)25/h10,13,17-18,20,28H,5-9,11-12H2,1-4H3/t13-,17+,18-,20+,21+,22+,23+,24-/m1/s1 | 定義日: | 2023-06-22 | 最終更新日: | 2023-07-07 | 公開日: | 2023-07-12 |
|
 | OU9 | 表記: | [(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-oxidanyl-propan-2-yl] (~{Z})-octadec-9-enoate | 組成式: | C23 H46 N O7 P | SMILES: | CCCCCCCCC=CCCCCCCCC(=O)O[CH](CO)CO[P](O)(=O)OCCN | InChi: | InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m0/s1 | 定義日: | 2022-09-21 | 最終更新日: | 2023-07-07 | 公開日: | 2023-07-12 | 識別子(ID): | [(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-oxidanyl-propan-2-yl] (~{Z})-octadec-9-enoate |
|
 | W5R | 表記: | dimethyl 2,6-bis[2-(dimethylamino)ethyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4~{H}-pyridine-3,5-dicarboxylate | 組成式: | C25 H34 F3 N3 O4 | SMILES: | COC(=O)C1=C(CCN(C)C)N(C)C(=C(C1c2ccc(cc2)C(F)(F)F)C(=O)OC)CCN(C)C | InChi: | InChI=1S/C25H34F3N3O4/c1-29(2)14-12-18-21(23(32)34-6)20(16-8-10-17(11-9-16)25(26,27)28)22(24(33)35-7)19(31(18)5)13-15-30(3)4/h8-11,20H,12-15H2,1-7H3 | 定義日: | 2023-05-03 | 最終更新日: | 2023-07-07 | 公開日: | 2023-07-12 | 識別子(ID): | dimethyl 2,6-bis[2-(dimethylamino)ethyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4~{H}-pyridine-3,5-dicarboxylate |
|
 | 7WT | 表記: | Z-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(3R)-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoic acid | 組成式: | C23 H34 O5 | SMILES: | O[CH](CC[CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O)CCc2ccccc2 | InChi: | InChI=1S/C23H34O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,18-22,24-26H,2,7,10-16H2,(H,27,28)/b6-1-/t18-,19+,20+,21-,22+/m0/s1 | 別名: | 7-[3,5-Dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoic acid | 定義日: | 2023-03-13 | 最終更新日: | 2023-07-07 | 公開日: | 2023-07-12 | 識別子(ID): | (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-3,5-bis(oxidanyl)-2-[(3~{R})-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoic acid |
|
 | JN0 | 表記: | 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one | 組成式: | C20 H18 O6 | SMILES: | CC(C)=CCc1cc(cc(O)c1O)C2=COc3cc(O)cc(O)c3C2=O | InChi: | InChI=1S/C20H18O6/c1-10(2)3-4-11-5-12(6-16(23)19(11)24)14-9-26-17-8-13(21)7-15(22)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3 | 別名: | Glycyrrhisoflavone | 定義日: | 2022-08-23 | 最終更新日: | 2023-07-07 | 公開日: | 2023-07-12 | 識別子(ID): | 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one |
|
 | JU3 | 表記: | 3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one | 組成式: | C20 H18 O6 | SMILES: | CC(C)=CCc1c(O)ccc(c1O)C2=COc3cc(O)cc(O)c3C2=O | InChi: | InChI=1S/C20H18O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3 | 別名: | Licoisoflavone A | 定義日: | 2022-08-27 | 最終更新日: | 2023-07-07 | 公開日: | 2023-07-12 | 識別子(ID): | 3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one |
|
 | ZI8 | 表記: | N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide | 組成式: | C20 H21 Cl N2 O3 | SMILES: | O=C(NC1(COC1)c1ccc(Cl)cc1)c1ccc(cc1)N1CCC(O)C1 | InChi: | InChI=1S/C20H21ClN2O3/c21-16-5-3-15(4-6-16)20(12-26-13-20)22-19(25)14-1-7-17(8-2-14)23-10-9-18(24)11-23/h1-8,18,24H,9-13H2,(H,22,25)/t18-/m0/s1 | 定義日: | 2023-06-23 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide |
|
 | YJ0 | 表記: | (2R)-2-{[(4-O-hexopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-4-{[(25R)-5beta,14beta,17beta-spirostan-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside | 組成式: | C56 H92 O25 | SMILES: | OC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC1CO)OCC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)CCOC1CC2=CCC3C(CCC4(C)C5C(CC34)OC3(CCC(C)CO3)C5C)C2(C)CC1 | InChi: | InChI=1S/C56H92O25/c1-24-7-13-56(74-21-24)25(2)37-32(81-56)16-31-29-6-5-27-15-28(8-11-54(27,3)30(29)9-12-55(31,37)4)71-14-10-26(22-72-50-46(69)42(65)48(35(19-59)77-50)79-52-44(67)40(63)38(61)33(17-57)75-52)23-73-51-47(70)43(66)49(36(20-60)78-51)80-53-45(68)41(64)39(62)34(18-58)76-53/h5,24-26,28-53,57-70H,6-23H2,1-4H3/t24-,25+,26-,28+,29-,30+,31+,32+,33?,34-,35-,36-,37+,38?,39-,40?,41+,42-,43-,44?,45-,46-,47-,48-,49-,50-,51-,52?,53-,54+,55+,56-/m1/s1 | 定義日: | 2023-06-19 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | (2R)-2-{[(4-O-hexopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-4-{[(25R)-14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
|
 | XS9 | 表記: | (1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-9a-(decanoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate | 組成式: | C40 H64 O8 | SMILES: | CCCCCCCCCC(=O)OC12C(C3C=C(CO)CC4(O)C(=O)C(C)=CC4C3(O)C(C)C1OC(=O)CCCCCCCCC)C2(C)C | InChi: | InChI=1S/C40H64O8/c1-7-9-11-13-15-17-19-21-32(42)47-36-28(4)39(46)30(24-29(26-41)25-38(45)31(39)23-27(3)35(38)44)34-37(5,6)40(34,36)48-33(43)22-20-18-16-14-12-10-8-2/h23-24,28,30-31,34,36,41,45-46H,7-22,25-26H2,1-6H3/t28-,30+,31-,34-,36-,38+,39-,40-/m1/s1 | 定義日: | 2022-12-06 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | (1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl didecanoate |
|
 | SJ9 | 表記: | 5-(benzylcarbamoyl)-1-[(4-chloro-3-fluorophenyl)methyl]-1H-indole-2-carboxylic acid | 組成式: | C24 H18 Cl F N2 O3 | SMILES: | O=C(O)c1cc2cc(ccc2n1Cc1ccc(Cl)c(F)c1)C(=O)NCc1ccccc1 | InChi: | InChI=1S/C24H18ClFN2O3/c25-19-8-6-16(10-20(19)26)14-28-21-9-7-17(11-18(21)12-22(28)24(30)31)23(29)27-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,27,29)(H,30,31) | 定義日: | 2022-07-05 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | 5-(benzylcarbamoyl)-1-[(4-chloro-3-fluorophenyl)methyl]-1H-indole-2-carboxylic acid |
|
 | XER | 表記: | 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid | 組成式: | C7 H2 Cl F O2 S2 | SMILES: | Fc1cc2sc(c(Cl)c2s1)C(=O)O | InChi: | InChI=1S/C7H2ClFO2S2/c8-4-5-2(1-3(9)13-5)12-6(4)7(10)11/h1H,(H,10,11) | 定義日: | 2022-11-14 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid |
|
 | XGG | 表記: | (2P)-2-[(4P)-4-{6-[(1-ethylcyclopropyl)methoxy]pyridin-3-yl}-1,3-thiazol-2-yl]benzoic acid | 組成式: | C21 H20 N2 O3 S | SMILES: | CCC1(CC1)COc1ccc(cn1)c1csc(n1)c1ccccc1C(=O)O | InChi: | InChI=1S/C21H20N2O3S/c1-2-21(9-10-21)13-26-18-8-7-14(11-22-18)17-12-27-19(23-17)15-5-3-4-6-16(15)20(24)25/h3-8,11-12H,2,9-10,13H2,1H3,(H,24,25) | 定義日: | 2022-11-15 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | (2P)-2-[(4P)-4-{6-[(1-ethylcyclopropyl)methoxy]pyridin-3-yl}-1,3-thiazol-2-yl]benzoic acid |
|
 | XGT | 表記: | (2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic acid | 組成式: | C17 H13 N O2 S | SMILES: | O=C(O)c1ccccc1c1csc(n1)c1ccc(C)cc1 | InChi: | InChI=1S/C17H13NO2S/c1-11-6-8-12(9-7-11)16-18-15(10-21-16)13-4-2-3-5-14(13)17(19)20/h2-10H,1H3,(H,19,20) | 定義日: | 2022-11-16 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | (2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic acid |
|
 | X7N | 表記: | 2-methyl-1-[3-(morpholin-4-yl)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide | 組成式: | C26 H28 F3 N3 O2 | SMILES: | FC(F)(F)c1cc(ccc1)NC(=O)c1cc(c2ccccc2)n(CCCN2CCOCC2)c1C | InChi: | InChI=1S/C26H28F3N3O2/c1-19-23(25(33)30-22-10-5-9-21(17-22)26(27,28)29)18-24(20-7-3-2-4-8-20)32(19)12-6-11-31-13-15-34-16-14-31/h2-5,7-10,17-18H,6,11-16H2,1H3,(H,30,33) | 定義日: | 2023-06-05 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | 2-methyl-1-[3-(morpholin-4-yl)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide |
|
 | X8O | 表記: | ~{N}-(2-aminophenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide | 組成式: | C20 H17 N5 O2 | SMILES: | CN1C=C(c2ccc(nc2)C(=O)Nc3ccccc3N)c4cc[nH]c4C1=O | InChi: | InChI=1S/C20H17N5O2/c1-25-11-14(13-8-9-22-18(13)20(25)27)12-6-7-17(23-10-12)19(26)24-16-5-3-2-4-15(16)21/h2-11,22H,21H2,1H3,(H,24,26) | 定義日: | 2023-06-06 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | ~{N}-(2-aminophenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide |
|
 | X8T | 表記: | ~{N}-(2-aminophenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide | 組成式: | C21 H18 N4 O2 | SMILES: | CN1C=C(c2ccc(cc2)C(=O)Nc3ccccc3N)c4cc[nH]c4C1=O | InChi: | InChI=1S/C21H18N4O2/c1-25-12-16(15-10-11-23-19(15)21(25)27)13-6-8-14(9-7-13)20(26)24-18-5-3-2-4-17(18)22/h2-12,23H,22H2,1H3,(H,24,26) | 定義日: | 2023-06-06 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | ~{N}-(2-aminophenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide |
|
 | X9C | 表記: | ~{N}-(2-aminophenyl)-2-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)quinoline-6-carboxamide | 組成式: | C24 H19 N5 O2 | SMILES: | CN1C=C(c2ccc3cc(ccc3n2)C(=O)Nc4ccccc4N)c5cc[nH]c5C1=O | InChi: | InChI=1S/C24H19N5O2/c1-29-13-17(16-10-11-26-22(16)24(29)31)20-9-6-14-12-15(7-8-19(14)27-20)23(30)28-21-5-3-2-4-18(21)25/h2-13,26H,25H2,1H3,(H,28,30) | 定義日: | 2023-06-06 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | ~{N}-(2-aminophenyl)-2-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)quinoline-6-carboxamide |
|
 | X9K | 表記: | ~{N}-(2-aminophenyl)-4-[(~{E})-(6-methyl-7-oxidanyl-1~{H}-indol-4-yl)diazenyl]benzamide | 組成式: | C22 H19 N5 O2 | SMILES: | Cc1cc(N=Nc2ccc(cc2)C(=O)Nc3ccccc3N)c4cc[nH]c4c1O | InChi: | InChI=1S/C22H19N5O2/c1-13-12-19(16-10-11-24-20(16)21(13)28)27-26-15-8-6-14(7-9-15)22(29)25-18-5-3-2-4-17(18)23/h2-12,24,28H,23H2,1H3,(H,25,29)/b27-26+ | 定義日: | 2023-06-06 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | ~{N}-(2-aminophenyl)-4-[(~{E})-(6-methyl-7-oxidanyl-1~{H}-indol-4-yl)diazenyl]benzamide |
|
 | X9U | 表記: | ~{N}-(2-azanyl-5-phenyl-phenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide | 組成式: | C27 H22 N4 O2 | SMILES: | CN1C=C(c2ccc(cc2)C(=O)Nc3cc(ccc3N)c4ccccc4)c5cc[nH]c5C1=O | InChi: | InChI=1S/C27H22N4O2/c1-31-16-22(21-13-14-29-25(21)27(31)33)18-7-9-19(10-8-18)26(32)30-24-15-20(11-12-23(24)28)17-5-3-2-4-6-17/h2-16,29H,28H2,1H3,(H,30,32) | 定義日: | 2023-06-06 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | ~{N}-(2-azanyl-5-phenyl-phenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide |
|
 | XA3 | 表記: | ~{N}-(2-azanyl-5-phenyl-phenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide | 組成式: | C26 H21 N5 O2 | SMILES: | CN1C=C(c2ccc(nc2)C(=O)Nc3cc(ccc3N)c4ccccc4)c5cc[nH]c5C1=O | InChi: | InChI=1S/C26H21N5O2/c1-31-15-20(19-11-12-28-24(19)26(31)33)18-8-10-22(29-14-18)25(32)30-23-13-17(7-9-21(23)27)16-5-3-2-4-6-16/h2-15,28H,27H2,1H3,(H,30,32) | 定義日: | 2023-06-06 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | ~{N}-(2-azanyl-5-phenyl-phenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide |
|
 | L2X | 表記: | (2S,3S)-N3-[2-(4-hydroxyphenyl)ethyl]-N2-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide | 組成式: | C28 H29 N3 O5 | SMILES: | Oc1ccc(CCNC(=O)[CH]2O[CH]2C(=O)N[CH](Cc3ccccc3)C(=O)NCc4ccccc4)cc1 | InChi: | InChI=1S/C28H29N3O5/c32-22-13-11-19(12-14-22)15-16-29-27(34)24-25(36-24)28(35)31-23(17-20-7-3-1-4-8-20)26(33)30-18-21-9-5-2-6-10-21/h1-14,23-25,32H,15-18H2,(H,29,34)(H,30,33)(H,31,35)/t23-,24-,25-/m0/s1 | 別名: | (2S,3S)-2-N-[(1S)-1-(benzylcarbamoyl)-2-phenylethyl]-3-N-[2-(4-hydroxyphenyl)ethyl]oxirane-2,3-dicarboxamide | 定義日: | 2022-06-14 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | (2~{S},3~{S})-~{N}3-[2-(4-hydroxyphenyl)ethyl]-~{N}2-[(2~{S})-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide |
|
 | SE1 | 表記: | 2-[(2-{[(3s,5s,7s)-adamantan-1-yl]sulfamoyl}phenyl)sulfanyl]benzoic acid | 組成式: | C23 H25 N O4 S2 | SMILES: | O=C(O)c1ccccc1Sc1ccccc1S(=O)(=O)NC12CC3CC(C1)CC(C2)C3 | InChi: | InChI=1S/C23H25NO4S2/c25-22(26)18-5-1-2-6-19(18)29-20-7-3-4-8-21(20)30(27,28)24-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17,24H,9-14H2,(H,25,26)/t15-,16+,17-,23- | 定義日: | 2022-06-30 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | 2-[(2-{[(3s,5s,7s)-adamantan-1-yl]sulfamoyl}phenyl)sulfanyl]benzoic acid |
|
 | USU | 表記: | (5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide | 組成式: | C27 H27 F N4 O3 | SMILES: | Fc1ccc(cc1)CNC(=O)N1CCC(=O)N2C(C)C(=O)N(CC21)Cc1cccc2ccccc21 | InChi: | InChI=1S/C27H27FN4O3/c1-18-26(34)30(16-21-7-4-6-20-5-2-3-8-23(20)21)17-24-31(14-13-25(33)32(18)24)27(35)29-15-19-9-11-22(28)12-10-19/h2-12,18,24H,13-17H2,1H3,(H,29,35)/t18-,24+/m0/s1 | 定義日: | 2022-08-24 | 最終更新日: | 2023-06-30 | 公開日: | 2023-07-05 | 識別子(ID): | (5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide |
|