![UEB UEB](https://data.pdbj.org/pdbjplus/data/cc/svg/UEB.svg) | UEB | Name: | (S)-1-(2-(amino(phenyl)methyl)benzyl)-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one | Formula: | C20 H18 N4 O S | SMILES: | N[CH](c1ccccc1)c2ccccc2CN3C(=S)NC(=O)c4[nH]ccc34 | InChi: | InChI=1S/C20H18N4OS/c21-17(13-6-2-1-3-7-13)15-9-5-4-8-14(15)12-24-16-10-11-22-18(16)19(25)23-20(24)26/h1-11,17,22H,12,21H2,(H,23,25,26)/t17-/m1/s1 | Synonyms: | 1-[[2-[(~{R})-azanyl(phenyl)methyl]phenyl]methyl]-2-sulfanylidene-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one | Definition date: | 2021-02-11 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | 1-[[2-[(~{R})-azanyl(phenyl)methyl]phenyl]methyl]-2-sulfanylidene-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one |
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![SQ2 SQ2](https://data.pdbj.org/pdbjplus/data/cc/svg/SQ2.svg) | SQ2 | Name: | 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one | Formula: | C14 H18 N4 O | SMILES: | CC1CCN(CC1)C(=O)Cn2nnc3ccccc23 | InChi: | InChI=1S/C14H18N4O/c1-11-6-8-17(9-7-11)14(19)10-18-13-5-3-2-4-12(13)15-16-18/h2-5,11H,6-10H2,1H3 | Synonyms: | 2-(benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone | Definition date: | 2020-11-27 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | 2-(benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone |
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![SQ5 SQ5](https://data.pdbj.org/pdbjplus/data/cc/svg/SQ5.svg) | SQ5 | Name: | (5S)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl)imidazolidine-2,4-dione | Formula: | C15 H18 F N3 O2 | SMILES: | Fc1cncc(c1)N2C(=O)N[CH](CC3CCCCC3)C2=O | InChi: | InChI=1S/C15H18FN3O2/c16-11-7-12(9-17-8-11)19-14(20)13(18-15(19)21)6-10-4-2-1-3-5-10/h7-10,13H,1-6H2,(H,18,21)/t13-/m0/s1 | Synonyms: | (5~{S})-5-(cyclohexylmethyl)-3-(5-fluoranylpyridin-3-yl)imidazolidine-2,4-dione | Definition date: | 2020-11-27 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | (5~{S})-5-(cyclohexylmethyl)-3-(5-fluoranylpyridin-3-yl)imidazolidine-2,4-dione |
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![SYH SYH](https://data.pdbj.org/pdbjplus/data/cc/svg/SYH.svg) | SYH | Name: | 2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-methylenepiperidin-1-yl)ethan-1-one | Formula: | C14 H16 N4 O | SMILES: | C=C1CCN(CC1)C(=O)Cn2nnc3ccccc23 | InChi: | InChI=1S/C14H16N4O/c1-11-6-8-17(9-7-11)14(19)10-18-13-5-3-2-4-12(13)15-16-18/h2-5H,1,6-10H2 | Synonyms: | 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylidenepiperidin-1-yl)ethan-1-one | Definition date: | 2020-12-07 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | 2-(benzotriazol-1-yl)-1-(4-methylidenepiperidin-1-yl)ethanone |
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![CT6 CT6](https://data.pdbj.org/pdbjplus/data/cc/svg/CT6.svg) | CT6 | Name: | (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE | Formula: | C18 H14 Br N5 | SMILES: | Brc4cccc(c1nc3[n+](c(c1)NCc2ccncc2)ncc3)c4 | InChi: | InChI=1S/C18H14BrN5/c19-15-3-1-2-14(10-15)16-11-18(24-17(23-16)6-9-22-24)21-12-13-4-7-20-8-5-13/h1-11H,12H2,(H,21,22,23)/p+1 | Definition date: | 2005-11-08 | Last modified: | 2022-02-18 | Identifier: | 5-(3-bromophenyl)-7-[(pyridin-4-ylmethyl)amino]-1H-pyrazolo[1,5-a]pyrimidin-8-ium |
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![V18 V18](https://data.pdbj.org/pdbjplus/data/cc/svg/V18.svg) | V18 | Name: | 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione | Formula: | C19 H19 N3 O2 | SMILES: | O=C1N[C]2(C[CH](C2)C3CCC3)C(=O)N1c4cncc5ccccc45 | InChi: | InChI=1S/C19H19N3O2/c23-17-19(8-14(9-19)12-5-3-6-12)21-18(24)22(17)16-11-20-10-13-4-1-2-7-15(13)16/h1-2,4,7,10-12,14H,3,5-6,8-9H2,(H,21,24)/t14-,19- | Definition date: | 2021-04-06 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione |
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![V1B V1B](https://data.pdbj.org/pdbjplus/data/cc/svg/V1B.svg) | V1B | Name: | 7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione | Formula: | C21 H17 N3 O2 | SMILES: | O=C1N[C]2(C[CH](C2)c3ccccc3)C(=O)N1c4cncc5ccccc45 | InChi: | InChI=1S/C21H17N3O2/c25-19-21(10-16(11-21)14-6-2-1-3-7-14)23-20(26)24(19)18-13-22-12-15-8-4-5-9-17(15)18/h1-9,12-13,16H,10-11H2,(H,23,26)/t16-,21+ | Definition date: | 2021-04-06 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | 7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione |
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![04Y 04Y](https://data.pdbj.org/pdbjplus/data/cc/svg/04Y.svg) | 04Y | Name: | N-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide | Formula: | C20 H23 N3 O | SMILES: | O=C(NC1CC1)C1CCN(CC1)c1cnccc1c1ccccc1 | InChi: | InChI=1S/C20H23N3O/c24-20(22-17-6-7-17)16-9-12-23(13-10-16)19-14-21-11-8-18(19)15-4-2-1-3-5-15/h1-5,8,11,14,16-17H,6-7,9-10,12-13H2,(H,22,24) | Definition date: | 2021-06-01 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | N-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide |
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![05D 05D](https://data.pdbj.org/pdbjplus/data/cc/svg/05D.svg) | 05D | Name: | N,N-dimethyl-1-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide | Formula: | C17 H23 N5 O | SMILES: | CN(C)C(=O)C1CCN(CC1)c1cnccc1n1cc(C)cn1 | InChi: | InChI=1S/C17H23N5O/c1-13-10-19-22(12-13)15-4-7-18-11-16(15)21-8-5-14(6-9-21)17(23)20(2)3/h4,7,10-12,14H,5-6,8-9H2,1-3H3 | Definition date: | 2021-06-01 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | N,N-dimethyl-1-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide |
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![T0W T0W](https://data.pdbj.org/pdbjplus/data/cc/svg/T0W.svg) | T0W | Name: | 2-(benzotriazol-1-yl)-~{N}-ethyl-~{N}-(furan-3-ylmethyl)ethanamide | Formula: | C15 H16 N4 O2 | SMILES: | CCN(Cc1cocc1)C(=O)Cn2nnc3ccccc23 | InChi: | InChI=1S/C15H16N4O2/c1-2-18(9-12-7-8-21-11-12)15(20)10-19-14-6-4-3-5-13(14)16-17-19/h3-8,11H,2,9-10H2,1H3 | Synonyms: | 2-(1H-1,2,3-benzotriazol-1-yl)-N-ethyl-N-[(furan-3-yl)methyl]acetamide | Definition date: | 2020-12-09 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | 2-(benzotriazol-1-yl)-~{N}-ethyl-~{N}-(furan-3-ylmethyl)ethanamide |
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![EIV EIV](https://data.pdbj.org/pdbjplus/data/cc/svg/EIV.svg) | EIV | Name: | 1-methyl-5-nitro-1H-imidazole | Formula: | C4 H5 N3 O2 | SMILES: | [O-][N+](=O)c1cncn1C | InChi: | InChI=1S/C4H5N3O2/c1-6-3-5-2-4(6)7(8)9/h2-3H,1H3 | Definition date: | 2021-12-07 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | 1-methyl-5-nitro-1H-imidazole |
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![XRF XRF](https://data.pdbj.org/pdbjplus/data/cc/svg/XRF.svg) | XRF | Name: | 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione | Formula: | C10 H17 N2 O14 P3 | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(CC1O)N1C=C(C)C(=O)NC1=O | InChi: | InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m1/s1 | Definition date: | 2021-03-09 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione |
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![XU7 XU7](https://data.pdbj.org/pdbjplus/data/cc/svg/XU7.svg) | XU7 | Name: | (2S)-2-amino-4-boronobutanoic acid | Formula: | C4 H10 B N O4 | SMILES: | B(O)(CCC(C(O)=O)N)O | InChi: | InChI=1S/C4H10BNO4/c6-3(4(7)8)1-2-5(9)10/h3,9-10H,1-2,6H2,(H,7,8)/t3-/m0/s1 | Definition date: | 2021-01-13 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | (2S)-2-amino-4-boronobutanoic acid |
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![XUJ XUJ](https://data.pdbj.org/pdbjplus/data/cc/svg/XUJ.svg) | XUJ | Name: | (2R)-2-amino-4-boronobutanoic acid | Formula: | C4 H10 B N O4 | SMILES: | B(O)(CCC(C(O)=O)N)O | InChi: | InChI=1S/C4H10BNO4/c6-3(4(7)8)1-2-5(9)10/h3,9-10H,1-2,6H2,(H,7,8)/t3-/m1/s1 | Definition date: | 2021-01-13 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | (2R)-2-amino-4-boronobutanoic acid |
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![YAV YAV](https://data.pdbj.org/pdbjplus/data/cc/svg/YAV.svg) | YAV | Name: | 2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid | Formula: | C46 H40 N2 O10 | SMILES: | Cc1ccc2oc(C#Cc3cccc(c3)C(=O)NCCOCCOCCNC(=O)c4cccc(c4)C#Cc5oc6ccc(C)cc6c5CC(O)=O)c(CC(O)=O)c2c1 | InChi: | InChI=1S/C46H40N2O10/c1-29-9-13-39-35(23-29)37(27-43(49)50)41(57-39)15-11-31-5-3-7-33(25-31)45(53)47-17-19-55-21-22-56-20-18-48-46(54)34-8-4-6-32(26-34)12-16-42-38(28-44(51)52)36-24-30(2)10-14-40(36)58-42/h3-10,13-14,23-26H,17-22,27-28H2,1-2H3,(H,47,53)(H,48,54)(H,49,50)(H,51,52) | Definition date: | 2021-02-15 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | 2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid |
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![YFA YFA](https://data.pdbj.org/pdbjplus/data/cc/svg/YFA.svg) | YFA | Name: | (2R)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4H)-yl}-2-phenyl-N-(1,3-thiazol-2-yl)acetamide | Formula: | C31 H28 F N5 O2 S | SMILES: | C(C(N4C(c3c(c(c2ccc(C1CCN(C)CC1)cc2)ccc3N=C4)F)=O)c5ccccc5)(Nc6nccs6)=O | InChi: | InChI=1S/C31H28FN5O2S/c1-36-16-13-21(14-17-36)20-7-9-22(10-8-20)24-11-12-25-26(27(24)32)30(39)37(19-34-25)28(23-5-3-2-4-6-23)29(38)35-31-33-15-18-40-31/h2-12,15,18-19,21,28H,13-14,16-17H2,1H3,(H,33,35,38)/t28-/m1/s1 | Definition date: | 2021-02-24 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | (2R)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4H)-yl}-2-phenyl-N-(1,3-thiazol-2-yl)acetamide |
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![4VH 4VH](https://data.pdbj.org/pdbjplus/data/cc/svg/4VH.svg) | 4VH | Name: | N-[2-[4-[(2S)-3-(2-hydroxyethylamino)-3-oxidanylidene-2-(2-phenoxyethanoylamino)propyl]-1,2,3-triazol-1-yl]ethyl]-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-benzamide | Formula: | C30 H38 N6 O10 S | SMILES: | OCCNC(=O)[CH](Cc1cn(CCNC(=O)c2ccc(S[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc2)nn1)NC(=O)COc4ccccc4 | InChi: | InChI=1S/C30H38N6O10S/c37-13-11-32-29(44)22(33-24(39)17-45-20-4-2-1-3-5-20)14-19-15-36(35-34-19)12-10-31-28(43)18-6-8-21(9-7-18)47-30-27(42)26(41)25(40)23(16-38)46-30/h1-9,15,22-23,25-27,30,37-38,40-42H,10-14,16-17H2,(H,31,43)(H,32,44)(H,33,39)/t22-,23+,25-,26-,27+,30-/m0/s1 | Definition date: | 2021-08-06 | Last modified: | 2022-02-15 | Release date: | 2022-02-16 | Identifier: | ~{N}-[2-[4-[(2~{S})-3-(2-hydroxyethylamino)-3-oxidanylidene-2-(2-phenoxyethanoylamino)propyl]-1,2,3-triazol-1-yl]ethyl]-4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-benzamide |
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![4ON 4ON](https://data.pdbj.org/pdbjplus/data/cc/svg/4ON.svg) | 4ON | Name: | 5-[(2S,7R)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol | Formula: | C18 H29 F O2 | SMILES: | CCCC[CH](F)CCCC[CH](C)Cc1cc(O)cc(O)c1 | InChi: | InChI=1S/C18H29FO2/c1-3-4-8-16(19)9-6-5-7-14(2)10-15-11-17(20)13-18(21)12-15/h11-14,16,20-21H,3-10H2,1-2H3/t14-,16+/m0/s1 | Definition date: | 2021-08-03 | Last modified: | 2022-02-11 | Release date: | 2022-02-16 | Identifier: | 5-[(2~{S},7~{R})-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol |
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![4PJ 4PJ](https://data.pdbj.org/pdbjplus/data/cc/svg/4PJ.svg) | 4PJ | Name: | 2-[(5S,10S)-11-[3,5-bis(oxidanyl)phenyl]-10-methyl-undecan-5-yl]-5-[(2S,7R)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol | Formula: | C36 H57 F O4 | SMILES: | CCCC[CH](F)CCCC[CH](C)Cc1cc(O)c([CH](CCCC)CCCC[CH](C)Cc2cc(O)cc(O)c2)c(O)c1 | InChi: | InChI=1S/C36H57FO4/c1-5-7-15-30(16-11-9-13-26(3)19-28-21-32(38)25-33(39)22-28)36-34(40)23-29(24-35(36)41)20-27(4)14-10-12-18-31(37)17-8-6-2/h21-27,30-31,38-41H,5-20H2,1-4H3/t26-,27-,30-,31+/m0/s1 | Definition date: | 2021-08-03 | Last modified: | 2022-02-11 | Release date: | 2022-02-16 | Identifier: | 2-[(5~{S},10~{S})-11-[3,5-bis(oxidanyl)phenyl]-10-methyl-undecan-5-yl]-5-[(2~{S},7~{R})-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol |
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![I0N I0N](https://data.pdbj.org/pdbjplus/data/cc/svg/I0N.svg) | I0N | Name: | methyl (Z)-4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate | Formula: | C24 H26 Cl N O4 | SMILES: | COC(=O)C(O)=CC(=O)C1(CCN(CC1)Cc2ccccc2)Cc3ccc(Cl)cc3 | InChi: | InChI=1S/C24H26ClNO4/c1-30-23(29)21(27)15-22(28)24(16-18-7-9-20(25)10-8-18)11-13-26(14-12-24)17-19-5-3-2-4-6-19/h2-10,15,27H,11-14,16-17H2,1H3/b21-15- | Definition date: | 2021-12-28 | Last modified: | 2022-02-11 | Release date: | 2022-02-16 | Identifier: | methyl (~{Z})-4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate |
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![I27 I27](https://data.pdbj.org/pdbjplus/data/cc/svg/I27.svg) | I27 | Name: | methyl (Z)-4-[1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate | Formula: | C24 H25 Cl2 N O4 | SMILES: | COC(=O)C(O)=CC(=O)C1(CCN(CC1)Cc2cccc(Cl)c2)Cc3ccc(Cl)cc3 | InChi: | InChI=1S/C24H25Cl2NO4/c1-31-23(30)21(28)14-22(29)24(15-17-5-7-19(25)8-6-17)9-11-27(12-10-24)16-18-3-2-4-20(26)13-18/h2-8,13-14,28H,9-12,15-16H2,1H3/b21-14- | Definition date: | 2021-06-01 | Last modified: | 2022-02-11 | Release date: | 2022-02-16 | Identifier: | methyl (~{Z})-4-[1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate |
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![IA3 IA3](https://data.pdbj.org/pdbjplus/data/cc/svg/IA3.svg) | IA3 | Name: | methyl (Z)-4-(4-(4-chlorobenzyl)-1-(2-fluorobenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate | Formula: | C24 H25 Cl F N O4 | SMILES: | COC(=O)C(O)=CC(=O)C1(CCN(CC1)Cc2ccccc2F)Cc3ccc(Cl)cc3 | InChi: | InChI=1S/C24H25ClFNO4/c1-31-23(30)21(28)14-22(29)24(15-17-6-8-19(25)9-7-17)10-12-27(13-11-24)16-18-4-2-3-5-20(18)26/h2-9,14,28H,10-13,15-16H2,1H3/b21-14- | Definition date: | 2021-06-01 | Last modified: | 2022-02-11 | Release date: | 2022-02-16 | Identifier: | methyl (~{Z})-4-[4-[(4-chlorophenyl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate |
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![IA5 IA5](https://data.pdbj.org/pdbjplus/data/cc/svg/IA5.svg) | IA5 | Name: | methyl (Z)-4-(1-(3-bromobenzyl)-4-(4-chlorobenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate | Formula: | C24 H25 Br Cl N O4 | SMILES: | COC(=O)C(O)=CC(=O)C1(CCN(CC1)Cc2cccc(Br)c2)Cc3ccc(Cl)cc3 | InChi: | InChI=1S/C24H25BrClNO4/c1-31-23(30)21(28)14-22(29)24(15-17-5-7-20(26)8-6-17)9-11-27(12-10-24)16-18-3-2-4-19(25)13-18/h2-8,13-14,28H,9-12,15-16H2,1H3/b21-14- | Definition date: | 2021-06-01 | Last modified: | 2022-02-11 | Release date: | 2022-02-16 | Identifier: | methyl (~{Z})-4-[1-[(3-bromophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate |
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![1I6 1I6](https://data.pdbj.org/pdbjplus/data/cc/svg/1I6.svg) | 1I6 | Name: | methyl (Z)-4-(4-(4-chlorobenzyl)-1-(3-methoxybenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate | Formula: | C25 H28 Cl N O5 | SMILES: | COC(=O)C(O)=CC(=O)C1(CCN(CC1)Cc2cccc(OC)c2)Cc3ccc(Cl)cc3 | InChi: | InChI=1S/C25H28ClNO5/c1-31-21-5-3-4-19(14-21)17-27-12-10-25(11-13-27,16-18-6-8-20(26)9-7-18)23(29)15-22(28)24(30)32-2/h3-9,14-15,28H,10-13,16-17H2,1-2H3/b22-15- | Definition date: | 2021-06-01 | Last modified: | 2022-02-11 | Release date: | 2022-02-16 | Identifier: | methyl (~{Z})-4-[4-[(4-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate |
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![J2C J2C](https://data.pdbj.org/pdbjplus/data/cc/svg/J2C.svg) | J2C | Name: | 8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one | Formula: | C14 H17 Cl N2 O3 S | SMILES: | ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3occc3 | InChi: | InChI=1S/C14H17ClN2O3S/c15-8-12(18)16-5-3-14(4-6-16)17(13(19)10-21-14)9-11-2-1-7-20-11/h1-2,7H,3-6,8-10H2 | Definition date: | 2021-03-24 | Last modified: | 2022-02-11 | Release date: | 2022-02-16 | Identifier: | 8-(2-chloranylethanoyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one |
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