![C5B C5B](https://data.pdbj.org/pdbjplus/data/cc/svg/C5B.svg) | C5B | Name: | (1S,3R)-1-AMINOCYCLOPENTANE-1,3-DICARBOXYLIC ACID | Formula: | C7 H11 N O4 | SMILES: | O=C(O)C1(N)CC(C(=O)O)CC1 | InChi: | InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1 | Synonyms: | 1S,3R-ACPD | Definition date: | 2006-12-26 | Last modified: | 2021-03-13 | Identifier: | (1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid |
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![HKI HKI](https://data.pdbj.org/pdbjplus/data/cc/svg/HKI.svg) | HKI | Name: | N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide | Formula: | C30 H31 Cl N6 O3 | SMILES: | O=C(Nc4cc1c(ncc(C#N)c1Nc3ccc(OCc2ncccc2)c(Cl)c3)cc4OCC)CCCN(C)C | InChi: | InChI=1S/C30H31ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-6,8,10-12,14-16,18H,4,7,9,13,19H2,1-3H3,(H,34,35)(H,36,38) | Synonyms: | Neratinib (HKI-272), bound form | Definition date: | 2012-12-14 | Last modified: | 2021-03-13 | Release date: | 2013-01-11 | Identifier: | N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide |
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![C6V C6V](https://data.pdbj.org/pdbjplus/data/cc/svg/C6V.svg) | C6V | Name: | LSZ102 | Formula: | C25 H17 F3 O4 S | SMILES: | [C@H](c4ccc(Oc3c1c(cc(cc1)O)sc3c2c(C(C)(F)F)cc(cc2)F)cc4)=[C@H]C(=O)O | InChi: | InChI=1S/C25H17F3O4S/c1-25(27,28)20-12-15(26)5-9-18(20)24-23(19-10-6-16(29)13-21(19)33-24)32-17-7-2-14(3-8-17)4-11-22(30)31/h2-13,29H,1H3,(H,30,31)/b11-4+ | Synonyms: | (2E)-3-[4-({2-[2-(1,1-difluoroethyl)-4-fluorophenyl]-6-hydroxy-1-benzothiophen-3-yl}oxy)phenyl]prop-2-enoic acid | Definition date: | 2017-09-15 | Last modified: | 2021-03-13 | Release date: | 2018-04-04 | Identifier: | (2E)-3-[4-({2-[2-(1,1-difluoroethyl)-4-fluorophenyl]-6-hydroxy-1-benzothiophen-3-yl}oxy)phenyl]prop-2-enoic acid |
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![TYU TYU](https://data.pdbj.org/pdbjplus/data/cc/svg/TYU.svg) | TYU | Name: | TETRAHYDROURIDINE | Formula: | C9 H16 N2 O6 | SMILES: | O=C1N(CCC(O)N1)C2OC(C(O)C2O)CO | InChi: | InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5-,6-,7-,8-/m1/s1 | Synonyms: | 1-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-4- HYDROXY-TETRAHYDRO-PYRIMIDIN-2-ONE | Definition date: | 2004-11-11 | Last modified: | 2021-03-13 | Identifier: | (4R)-4-hydroxy-1-beta-D-ribofuranosyltetrahydropyrimidin-2(1H)-one |
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![TZA TZA](https://data.pdbj.org/pdbjplus/data/cc/svg/TZA.svg) | TZA | Name: | TRANS-AMICLENOMYCIN | Formula: | C10 H16 N2 O2 | SMILES: | O=C(O)C(N)CCC1C=CC(N)C=C1 | InChi: | InChI=1S/C10H16N2O2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,7-9H,3,6,11-12H2,(H,13,14)/t7-,8-,9-/m0/s1 | Synonyms: | 2-AMINO-4-(4-AMINO-CYCLOHEXA-2,5-DIENYL)-BUTYRIC ACID | Definition date: | 2002-09-11 | Last modified: | 2021-03-13 | Identifier: | (2S)-2-amino-4-(trans-4-aminocyclohexa-2,5-dien-1-yl)butanoic acid |
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![CA2 CA2](https://data.pdbj.org/pdbjplus/data/cc/svg/CA2.svg) | CA2 | Name: | (1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID | Formula: | C16 H22 O6 | SMILES: | O=C(O)C2(O)CC(O)C(O)C(CCCOc1ccccc1)C2 | InChi: | InChI=1S/C16H22O6/c17-13-10-16(21,15(19)20)9-11(14(13)18)5-4-8-22-12-6-2-1-3-7-12/h1-3,6-7,11,13-14,17-18,21H,4-5,8-10H2,(H,19,20)/t11-,13+,14+,16-/m0/s1 | Synonyms: | 1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)-CYCLOHEXANE-1-CARBOXYLIC ACID | Definition date: | 2005-05-26 | Last modified: | 2021-03-13 | Identifier: | (1S,3R,4R,5S)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid |
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![CAK CAK](https://data.pdbj.org/pdbjplus/data/cc/svg/CAK.svg) | CAK | Name: | [(1R,2R,3S,4S,5R)-2,3,4,5-TETRAHYDROXYCYCLOHEXYL]METHYL DIHYDROGEN PHOSPHATE | Formula: | C7 H15 O8 P | SMILES: | O=P(O)(O)OCC1CC(O)C(O)C(O)C1O | InChi: | InChI=1S/C7H15O8P/c8-4-1-3(2-15-16(12,13)14)5(9)7(11)6(4)10/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6+,7+/m1/s1 | Synonyms: | [(1R,2R,3S,4S,5R)-2,3,4,5-TETRAHYDROXYCYCLOHEXYL]METHYL PHOSPHORIC ACID | Definition date: | 2006-05-01 | Last modified: | 2021-03-13 | Identifier: | [(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate |
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![CAQ CAQ](https://data.pdbj.org/pdbjplus/data/cc/svg/CAQ.svg) | CAQ | Name: | CATECHOL | Formula: | C6 H6 O2 | SMILES: | Oc1ccccc1O | InChi: | InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H | Synonyms: | 1,2-DIHYDROXYBENZENE | Definition date: | 1999-12-14 | Last modified: | 2021-03-13 | Identifier: | benzene-1,2-diol |
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![CAX CAX](https://data.pdbj.org/pdbjplus/data/cc/svg/CAX.svg) | CAX | Name: | (2S,4S)-4-(2,2-DIHYDROXYETHYL)-2,3,3-TRIMETHYLCYCLOPENTANONE | Formula: | C10 H18 O3 | SMILES: | O=C1C(C)C(C)(C)C(CC(O)O)C1 | InChi: | InChI=1S/C10H18O3/c1-6-8(11)4-7(5-9(12)13)10(6,2)3/h6-7,9,12-13H,4-5H2,1-3H3/t6-,7+/m1/s1 | Synonyms: | (2S,4S)-ALPHA-CAMPHOLINIC ACID | Definition date: | 2004-04-22 | Last modified: | 2021-03-13 | Identifier: | (2S,4R)-4-(2,2-dihydroxyethyl)-2,3,3-trimethylcyclopentanone |
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![CC9 CC9](https://data.pdbj.org/pdbjplus/data/cc/svg/CC9.svg) | CC9 | Name: | curcumin | Formula: | C21 H20 O6 | SMILES: | O=C(C=Cc1ccc(O)c(OC)c1)CC(=O)C=Cc2cc(OC)c(O)cc2 | InChi: | InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+ | Synonyms: | (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione | Definition date: | 2013-04-19 | Last modified: | 2021-03-13 | Release date: | 2019-08-28 | Identifier: | (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione |
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![CCQ CCQ](https://data.pdbj.org/pdbjplus/data/cc/svg/CCQ.svg) | CCQ | Name: | L-CARNITINYL-COA INNER SALT | Formula: | C28 H49 N8 O18 P3 S | SMILES: | CC(C)(CO[P]([O-])(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)C[CH](O)C[N+](C)(C)C | InChi: | InChI=1S/C28H49N8O18P3S/c1-28(2,23(41)26(42)31-7-6-18(38)30-8-9-58-19(39)10-16(37)11-36(3,4)5)13-51-57(48,49)54-56(46,47)50-12-17-22(53-55(43,44)45)21(40)27(52-17)35-15-34-20-24(29)32-14-33-25(20)35/h14-17,21-23,27,37,40-41H,6-13H2,1-5H3,(H7-,29,30,31,32,33,38,42,43,44,45,46,47,48,49)/t16-,17-,21-,22-,23+,27-/m1/s1 | Synonyms: | O5'-(4-(3-{2-[2-((R)-3-HYDROXY-4-(TRIMETHYLAMMONIO)-1-OXO-BUTYL)SULFANYL-ETHYLCARBAMOYL]-ETHYLCARBAMOYL}-(R)-3-HYDROXY-2,2-DIMETHYL-PROPYL)-1-HYDROXY-3-OXIDO-1,3-DIOXO-2,4-DIOXA-1,3-DIPHOSPHABUT-1-YL) 3'-PHOSPHO-ADENOSINE | Definition date: | 2004-11-11 | Last modified: | 2021-03-13 | Identifier: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(3R)-3-hydroxy-4-[[3-[2-[(3R)-3-hydroxy-4-trimethylazaniumyl-butanoyl]sulfanylethylamino]-3-oxo-propyl]amino]-2,2-dimethyl-4-oxo-butyl] phosphate |
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![U4M U4M](https://data.pdbj.org/pdbjplus/data/cc/svg/U4M.svg) | U4M | Name: | 1-{2,5-dideoxy-2-fluoro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}pyrimidine-2,4(1H,3H)-dione | Formula: | C10 H14 F N2 O8 P | SMILES: | C1(OC(C(C1F)O)(COP(O)(=O)O)C)N2C(NC(C=C2)=O)=O | InChi: | InChI=1S/C10H14FN2O8P/c1-10(4-20-22(17,18)19)7(15)6(11)8(21-10)13-3-2-5(14)12-9(13)16/h2-3,6-8,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t6-,7+,8-,10-/m1/s1 | Synonyms: | 2'-F,4'-alpha-methyl uridine 5--(dihydrogen phosphate) | Definition date: | 2018-04-06 | Last modified: | 2021-03-13 | Release date: | 2018-08-29 | Identifier: | 1-{2,5-dideoxy-2-fluoro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}pyrimidine-2,4(1H,3H)-dione |
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![U5G U5G](https://data.pdbj.org/pdbjplus/data/cc/svg/U5G.svg) | U5G | Name: | boceprevir (bound form) | Formula: | C27 H47 N5 O5 | SMILES: | C(=O)(NC(C)(C)C)NC(C(C)(C)C)C(N1CC3C(C1C(=O)NC(CC2CCC2)C(O)C(=O)N)C3(C)C)=O | InChi: | InChI=1S/C27H47N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-20,33H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16-,17-,18-,19+,20+/m0/s1 | Synonyms: | (1R,2S,5S)-N-[(2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | Definition date: | 2020-04-23 | Last modified: | 2021-03-13 | Release date: | 2020-05-06 | Identifier: | (1R,2S,5S)-N-[(2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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![U7Y U7Y](https://data.pdbj.org/pdbjplus/data/cc/svg/U7Y.svg) | U7Y | Name: | Tedizolid isomer | Formula: | C17 H15 F N6 O3 | SMILES: | c4(c1ncc(cc1)c2c(cc(cc2)N3C(=O)OC(C3)CO)F)n(C)nnn4 | InChi: | InChI=1S/C17H15FN6O3/c1-23-16(20-21-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m1/s1 | Synonyms: | (5R)-3-{3-fluoro-4-[6-(1-methyl-1H-tetrazol-5-yl)pyridin-3-yl]phenyl}-5-(hydroxymethyl)-1,3-oxazolidin-2-one | Definition date: | 2020-04-30 | Last modified: | 2021-03-13 | Release date: | 2020-06-03 | Identifier: | (5R)-3-{3-fluoro-4-[6-(1-methyl-1H-tetrazol-5-yl)pyridin-3-yl]phenyl}-5-(hydroxymethyl)-1,3-oxazolidin-2-one |
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![UA3 UA3](https://data.pdbj.org/pdbjplus/data/cc/svg/UA3.svg) | UA3 | Name: | URACIL ARABINOSE-3'-PHOSPHATE | Formula: | C9 H13 N2 O9 P | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2O)CO | InChi: | InChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1 | Synonyms: | 1-(3-O-PHOSPHONO-BETA-L-ARABINOFURANOSYL)PYRIMIDINE-2,4(1H,3H)-DIONE | Definition date: | 2004-07-27 | Last modified: | 2021-03-13 | Identifier: | 1-(3-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione |
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![UAS UAS](https://data.pdbj.org/pdbjplus/data/cc/svg/UAS.svg) | UAS | Name: | Phenindione | Formula: | C15 H10 O2 | SMILES: | c1c2C(C(C(=O)c2ccc1)c3ccccc3)=O | InChi: | InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H | Synonyms: | 2-phenyl-1H-indene-1,3(2H)-dione | Definition date: | 2020-05-06 | Last modified: | 2021-03-13 | Release date: | 2020-11-11 | Identifier: | 2-phenyl-1H-indene-1,3(2H)-dione |
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![UB7 UB7](https://data.pdbj.org/pdbjplus/data/cc/svg/UB7.svg) | UB7 | Name: | terephthalic acid | Formula: | C8 H6 O4 | SMILES: | c1c(ccc(c1)C(O)=O)C(=O)O | InChi: | InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12) | Synonyms: | benzene-1,4-dicarboxylic acid | Definition date: | 2020-05-06 | Last modified: | 2021-03-13 | Release date: | 2020-09-16 | Identifier: | benzene-1,4-dicarboxylic acid |
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![UBP UBP](https://data.pdbj.org/pdbjplus/data/cc/svg/UBP.svg) | UBP | Name: | 3-[3-(2-carboxyethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]-L-alanine | Formula: | C10 H13 N3 O6 | SMILES: | O=C(O)C(N)CN1C=CC(=O)N(C1=O)CCC(=O)O | InChi: | InChI=1S/C10H13N3O6/c11-6(9(17)18)5-12-3-1-7(14)13(10(12)19)4-2-8(15)16/h1,3,6H,2,4-5,11H2,(H,15,16)(H,17,18)/t6-/m0/s1 | Synonyms: | (S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxyethyl)pyrimidine-2,4-dione | Definition date: | 2009-04-09 | Last modified: | 2021-03-13 | Identifier: | 3-[3-(2-carboxyethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]-L-alanine |
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![JFD JFD](https://data.pdbj.org/pdbjplus/data/cc/svg/JFD.svg) | JFD | Name: | 6-amino-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione | Formula: | C4 H4 Br N3 O2 | SMILES: | BrC=1C(=O)NC(=O)NC=1N | InChi: | InChI=1S/C4H4BrN3O2/c5-1-2(6)7-4(10)8-3(1)9/h(H4,6,7,8,9,10) | Synonyms: | 6-amino-5-bromopyrimidine-2,4(1H,3H)-dione | Definition date: | 2008-08-05 | Last modified: | 2021-03-13 | Identifier: | 6-amino-5-bromopyrimidine-2,4(1H,3H)-dione |
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![JG2 JG2](https://data.pdbj.org/pdbjplus/data/cc/svg/JG2.svg) | JG2 | Name: | 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol | Formula: | C20 H23 N3 O3 | SMILES: | n3c(c1nnc(o1)C(O)(O)CCCCCCc2ccccc2)cccc3 | InChi: | InChI=1S/C20H23N3O3/c24-20(25,14-8-2-1-4-10-16-11-5-3-6-12-16)19-23-22-18(26-19)17-13-7-9-15-21-17/h3,5-7,9,11-13,15,24-25H,1-2,4,8,10,14H2 | Synonyms: | 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one, bound form | Definition date: | 2011-11-02 | Last modified: | 2021-03-13 | Identifier: | 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol |
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![JH3 JH3](https://data.pdbj.org/pdbjplus/data/cc/svg/JH3.svg) | JH3 | Name: | methyl (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate | Formula: | C16 H26 O3 | SMILES: | O=C(OC)C=C(CC/C=C(/CCC1OC1(C)C)C)C | InChi: | InChI=1S/C16H26O3/c1-12(9-10-14-16(3,4)19-14)7-6-8-13(2)11-15(17)18-5/h7,11,14H,6,8-10H2,1-5H3/b12-7+,13-11+/t14-/m1/s1 | Synonyms: | JH III | Definition date: | 2009-05-07 | Last modified: | 2021-03-13 | Identifier: | methyl (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate |
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![JI2 JI2](https://data.pdbj.org/pdbjplus/data/cc/svg/JI2.svg) | JI2 | Name: | N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine | Formula: | C12 H21 N5 | SMILES: | n1c(N)cccc1CC2CNCC2NCCN | InChi: | InChI=1S/C12H21N5/c13-4-5-16-11-8-15-7-9(11)6-10-2-1-3-12(14)17-10/h1-3,9,11,15-16H,4-8,13H2,(H2,14,17)/t9-,11+/m0/s1 | Synonyms: | (+-)-N1-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-yl}ethane-1,2-diamine | Definition date: | 2007-10-23 | Last modified: | 2021-03-13 | Identifier: | N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine |
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![JI4 JI4](https://data.pdbj.org/pdbjplus/data/cc/svg/JI4.svg) | JI4 | Name: | N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine | Formula: | C21 H30 F N5 | SMILES: | Fc1cccc(c1)CCNCCNC2C(CNC2)Cc3nc(N)cc(c3)C | InChi: | InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m0/s1 | Synonyms: | N1-[(3' S,4' S)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride | Definition date: | 2009-09-22 | Last modified: | 2021-03-13 | Identifier: | N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine |
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![JI7 JI7](https://data.pdbj.org/pdbjplus/data/cc/svg/JI7.svg) | JI7 | Name: | N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine | Formula: | C20 H28 Cl N5 | SMILES: | Clc1cccc(c1)CNCCNC2C(CNC2)Cc3nc(N)cc(c3)C | InChi: | InChI=1S/C20H28ClN5/c1-14-7-18(26-20(22)8-14)10-16-12-24-13-19(16)25-6-5-23-11-15-3-2-4-17(21)9-15/h2-4,7-9,16,19,23-25H,5-6,10-13H2,1H3,(H2,22,26)/t16-,19-/m0/s1 | Synonyms: | (+-)-N1-{trans-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-chlorobenzyl)ethane-1,2-diamine | Definition date: | 2007-10-23 | Last modified: | 2021-03-13 | Identifier: | N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine |
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![JN3 JN3](https://data.pdbj.org/pdbjplus/data/cc/svg/JN3.svg) | JN3 | Name: | CHENODEOXYCHOLIC ACID | Formula: | C24 H40 O4 | SMILES: | O=C(O)CCC(C4C3(C(C1C(C2(C(CC1O)CC(O)CC2)C)CC3)CC4)C)C | InChi: | InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 | Synonyms: | (3ALPHA,5ALPHA,7BETA,8ALPHA,17ALPHA)-3,7-DIHYDROXYCHOLAN-24-OIC ACID | Definition date: | 2007-01-02 | Last modified: | 2021-03-13 | Identifier: | (3alpha,5alpha,7beta,8alpha,17alpha)-3,7-dihydroxycholan-24-oic acid |
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