![WZX WZX](https://data.pdbj.org/pdbjplus/data/cc/svg/WZX.svg) | WZX | Name: | ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate | Formula: | C12 H14 N2 O3 | SMILES: | CCOC(=O)CN1CC(=O)Nc2ccccc12 | InChi: | InChI=1S/C12H14N2O3/c1-2-17-12(16)8-14-7-11(15)13-9-5-3-4-6-10(9)14/h3-6H,2,7-8H2,1H3,(H,13,15) | Definition date: | 2023-10-17 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate |
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![X0H X0H](https://data.pdbj.org/pdbjplus/data/cc/svg/X0H.svg) | X0H | Name: | methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate | Formula: | C12 H11 N O3 | SMILES: | COC(=O)CC1=CC(=O)Nc2ccccc12 | InChi: | InChI=1S/C12H11NO3/c1-16-12(15)7-8-6-11(14)13-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3,(H,13,14) | Definition date: | 2023-10-17 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate |
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![VLR VLR](https://data.pdbj.org/pdbjplus/data/cc/svg/VLR.svg) | VLR | Name: | 3-{2,16-dioxo-20-[(3aS,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium | Formula: | C45 H55 N6 O7 S2 | SMILES: | O=C1NC2C(CCCCC(=O)NCCOCCOCCOCCNC(=O)C[n+]3c4ccccc4sc3/C=C3C=CN(C)c4ccc(cc43)c3ccc(OC)cc3)SCC2N1 | InChi: | InChI=1S/C45H54N6O7S2/c1-50-20-17-33(35-27-32(13-16-37(35)50)31-11-14-34(55-2)15-12-31)28-43-51(38-7-3-4-8-39(38)60-43)29-42(53)47-19-22-57-24-26-58-25-23-56-21-18-46-41(52)10-6-5-9-40-44-36(30-59-40)48-45(54)49-44/h3-4,7-8,11-17,20,27-28,36,40,44H,5-6,9-10,18-19,21-26,29-30H2,1-2H3,(H3-,46,47,48,49,52,53,54)/p+1/t36-,40-,44+/m1/s1 | Definition date: | 2023-09-13 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | 3-{2,16-dioxo-20-[(3aS,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium |
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![X0L X0L](https://data.pdbj.org/pdbjplus/data/cc/svg/X0L.svg) | X0L | Name: | 4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione | Formula: | C16 H14 N2 O2 | SMILES: | Cc1ccc(CN2C(=O)C(=O)Nc3ccccc23)cc1 | InChi: | InChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)17-15(19)16(18)20/h2-9H,10H2,1H3,(H,17,19) | Definition date: | 2023-10-17 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | 4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione |
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![XFZ XFZ](https://data.pdbj.org/pdbjplus/data/cc/svg/XFZ.svg) | XFZ | Name: | Bis-1,3-phenyl guanylhydrazon | Formula: | C10 H14 N8 | SMILES: | NC(N)=NN=Cc1cccc(C=NN=C(N)N)c1 | InChi: | InChI=1S/C10H14N8/c11-9(12)17-15-5-7-2-1-3-8(4-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)/b15-5+,16-6+ | Synonyms: | 2-[(E)-[3-[(E)-[bis(azanyl)methylidenehydrazinylidene]methyl]phenyl]methylideneamino]guanidine | Definition date: | 2023-11-01 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | 2-[(~{E})-[3-[(~{E})-[bis(azanyl)methylidenehydrazinylidene]methyl]phenyl]methylideneamino]guanidine |
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![VMD VMD](https://data.pdbj.org/pdbjplus/data/cc/svg/VMD.svg) | VMD | Name: | 4-[[1-[3-[[(2~{R})-2-oxidanyl-2-[(4~{S},5~{R})-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]amino]propyl]-1,2,3-triazol-4-yl]methylamino]benzenesulfonamide | Formula: | C20 H32 N6 O5 S | SMILES: | C[CH]1OC(C)(C)O[CH]1[CH](O)CNCCCn2cc(CNc3ccc(cc3)[S](N)(=O)=O)nn2 | InChi: | InChI=1S/C20H32N6O5S/c1-14-19(31-20(2,3)30-14)18(27)12-22-9-4-10-26-13-16(24-25-26)11-23-15-5-7-17(8-6-15)32(21,28)29/h5-8,13-14,18-19,22-23,27H,4,9-12H2,1-3H3,(H2,21,28,29)/t14-,18-,19-/m1/s1 | Definition date: | 2023-03-20 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | 4-[[1-[3-[[(2~{R})-2-oxidanyl-2-[(4~{S},5~{R})-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]amino]propyl]-1,2,3-triazol-4-yl]methylamino]benzenesulfonamide |
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![USI USI](https://data.pdbj.org/pdbjplus/data/cc/svg/USI.svg) | USI | Name: | ~{N}4-(1~{H}-indol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine | Formula: | C20 H19 N5 O | SMILES: | COc1cccc(c1)c2cc(NCc3ccc4[nH]ccc4c3)nc(N)n2 | InChi: | InChI=1S/C20H19N5O/c1-26-16-4-2-3-14(10-16)18-11-19(25-20(21)24-18)23-12-13-5-6-17-15(9-13)7-8-22-17/h2-11,22H,12H2,1H3,(H3,21,23,24,25) | Definition date: | 2023-06-18 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | ~{N}4-(1~{H}-indol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine |
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![VN9 VN9](https://data.pdbj.org/pdbjplus/data/cc/svg/VN9.svg) | VN9 | Name: | 3,4-dihydro-1~{H}-quinolin-2-one | Formula: | C9 H9 N O | SMILES: | O=C1CCc2ccccc2N1 | InChi: | InChI=1S/C9H9NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4H,5-6H2,(H,10,11) | Definition date: | 2023-03-20 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | 3,4-dihydro-1~{H}-quinolin-2-one |
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![VNE VNE](https://data.pdbj.org/pdbjplus/data/cc/svg/VNE.svg) | VNE | Name: | (3-methoxyphenyl)-pyrrol-1-yl-methanone | Formula: | C12 H11 N O2 | SMILES: | COc1cccc(c1)C(=O)n2cccc2 | InChi: | InChI=1S/C12H11NO2/c1-15-11-6-4-5-10(9-11)12(14)13-7-2-3-8-13/h2-9H,1H3 | Definition date: | 2023-03-20 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | (3-methoxyphenyl)-pyrrol-1-yl-methanone |
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![VNO VNO](https://data.pdbj.org/pdbjplus/data/cc/svg/VNO.svg) | VNO | Name: | 1-(2-ethylsulfonylethyl)-1,3,3-trimethyl-urea | Formula: | C8 H18 N2 O3 S | SMILES: | CC[S](=O)(=O)CCN(C)C(=O)N(C)C | InChi: | InChI=1S/C8H18N2O3S/c1-5-14(12,13)7-6-10(4)8(11)9(2)3/h5-7H2,1-4H3 | Definition date: | 2023-03-20 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | 1-(2-ethylsulfonylethyl)-1,3,3-trimethyl-urea |
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![VNV VNV](https://data.pdbj.org/pdbjplus/data/cc/svg/VNV.svg) | VNV | Name: | 3-phenyl-1,2-oxazol-5-amine | Formula: | C9 H8 N2 O | SMILES: | Nc1onc(c1)c2ccccc2 | InChi: | InChI=1S/C9H8N2O/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,10H2 | Definition date: | 2023-03-20 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | 3-phenyl-1,2-oxazol-5-amine |
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![ZJZ ZJZ](https://data.pdbj.org/pdbjplus/data/cc/svg/ZJZ.svg) | ZJZ | Name: | 7-(2-azanyl-5-chloranyl-phenyl)-3$l^{3}-thia-5,6$l^{4}-diaza-2$l^{3}-platinatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,6,8,10-pentaen-4-amine | Formula: | C14 H12 Cl N4 Pt S | SMILES: | NC(=S)NN=C(c1cc(Cl)ccc1N)c2ccccc2[Pt] | InChi: | InChI=1S/C14H12ClN4S.Pt/c15-10-6-7-12(16)11(8-10)13(18-19-14(17)20)9-4-2-1-3-5-9 | Definition date: | 2023-04-01 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | 7-(2-azanyl-5-chloranyl-phenyl)-3$l^{3}-thia-5,6$l^{4}-diaza-2$l^{3}-platinatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,6,8,10-pentaen-4-amine |
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![W6F W6F](https://data.pdbj.org/pdbjplus/data/cc/svg/W6F.svg) | W6F | Name: | 2-[(E)-(1,7-dimethylquinolin-4(1H)-ylidene)methyl]-3-{2,16-dioxo-20-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium | Formula: | C39 H51 N6 O6 S2 | SMILES: | O=C1NC2C(CCCCC(=O)NCCOCCOCCOCCNC(=O)C[n+]3c4ccccc4sc3/C=C3C=CN(C)c4cc(C)ccc43)SCC2N1 | InChi: | InChI=1S/C39H50N6O6S2/c1-27-11-12-29-28(13-16-44(2)32(29)23-27)24-37-45(31-7-3-4-8-33(31)53-37)25-36(47)41-15-18-50-20-22-51-21-19-49-17-14-40-35(46)10-6-5-9-34-38-30(26-52-34)42-39(48)43-38/h3-4,7-8,11-13,16,23-24,30,34,38H,5-6,9-10,14-15,17-22,25-26H2,1-2H3,(H3-,40,41,42,43,46,47,48)/p+1/t30-,34-,38?/m0/s1 | Definition date: | 2023-09-25 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | 2-[(E)-(1,7-dimethylquinolin-4(1H)-ylidene)methyl]-3-{2,16-dioxo-20-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium |
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![W8U W8U](https://data.pdbj.org/pdbjplus/data/cc/svg/W8U.svg) | W8U | Name: | (4M)-4-{(4S)-3-[(2-chloropyridin-3-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(oxan-4-yl)pyrimidin-2-amine | Formula: | C21 H20 Cl N7 O | SMILES: | Clc1ncccc1Cc1nnc2cc(ccn21)c1nc(ncc1)NC1CCOCC1 | InChi: | InChI=1S/C21H20ClN7O/c22-20-15(2-1-7-23-20)13-19-28-27-18-12-14(4-9-29(18)19)17-3-8-24-21(26-17)25-16-5-10-30-11-6-16/h1-4,7-9,12,16H,5-6,10-11,13H2,(H,24,25,26) | Definition date: | 2023-09-27 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | (4M)-4-{(4S)-3-[(2-chloropyridin-3-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(oxan-4-yl)pyrimidin-2-amine |
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![87I 87I](https://data.pdbj.org/pdbjplus/data/cc/svg/87I.svg) | 87I | Name: | (2R,4R)-1-methyl-4-hydroxyl-pyrrolidine-2-carboxylic acid | Formula: | C6 H11 N O3 | SMILES: | CN1C[CH](O)C[CH]1C(O)=O | InChi: | InChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5-/m1/s1 | Definition date: | 2023-03-17 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | (2~{R},4~{R})-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid |
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![6IW 6IW](https://data.pdbj.org/pdbjplus/data/cc/svg/6IW.svg) | 6IW | Name: | (2S,4S)-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid | Formula: | C6 H11 N O3 | SMILES: | CN1C[CH](O)C[CH]1C(O)=O | InChi: | InChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5-/m0/s1 | Definition date: | 2023-02-16 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | (2~{S},4~{S})-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid |
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![Q73 Q73](https://data.pdbj.org/pdbjplus/data/cc/svg/Q73.svg) | Q73 | Name: | (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoic acid | Formula: | C28 H46 N2 O5 | SMILES: | CC=C[CH]1O[CH](C[CH](O)[CH]1C)[CH](N)C=CC=C(C)C[CH](C)C=C(C)C=C[CH](O)C[CH](N)CC(O)=O | InChi: | InChI=1S/C28H46N2O5/c1-6-8-26-21(5)25(32)17-27(35-26)24(30)10-7-9-18(2)13-20(4)14-19(3)11-12-23(31)15-22(29)16-28(33)34/h6-12,14,20-27,31-32H,13,15-17,29-30H2,1-5H3,(H,33,34)/b8-6+,10-7+,12-11+,18-9+,19-14-/t20-,21+,22+,23+,24+,25-,26+,27+/m1/s1 | Definition date: | 2023-03-24 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoic acid |
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![Q90 Q90](https://data.pdbj.org/pdbjplus/data/cc/svg/Q90.svg) | Q90 | Name: | 4-[4-chloranyl-2-(2-hydroxy-2-oxoethyloxy)phenyl]-2-[(4-phenylphenyl)sulfonylamino]benzoic acid | Formula: | | SMILES: | OC(=O)COc1cc(Cl)ccc1c2ccc(C(O)=O)c(N[S](=O)(=O)c3ccc(cc3)c4ccccc4)c2 | InChi: | InChI=1S/C27H20ClNO7S/c28-20-9-13-22(25(15-20)36-16-26(30)31)19-8-12-23(27(32)33)24(14-19)29-37(34,35)21-10-6-18(7-11-21)17-4-2-1-3-5-17/h1-15,29H,16H2,(H,30,31)(H,32,33) | Definition date: | 2023-03-28 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | 4-[4-chloranyl-2-(2-hydroxy-2-oxoethyloxy)phenyl]-2-[(4-phenylphenyl)sulfonylamino]benzoic acid |
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![Q9F Q9F](https://data.pdbj.org/pdbjplus/data/cc/svg/Q9F.svg) | Q9F | Name: | 4-(4-chlorophenyl)-2-oxidanyl-6-[(4-phenylphenyl)sulfonylamino]benzoic acid | Formula: | C25 H18 Cl N O5 S | SMILES: | OC(=O)c1c(O)cc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4 | InChi: | InChI=1S/C25H18ClNO5S/c26-20-10-6-18(7-11-20)19-14-22(24(25(29)30)23(28)15-19)27-33(31,32)21-12-8-17(9-13-21)16-4-2-1-3-5-16/h1-15,27-28H,(H,29,30) | Definition date: | 2023-03-28 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | 4-(4-chlorophenyl)-2-oxidanyl-6-[(4-phenylphenyl)sulfonylamino]benzoic acid |
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![Q9L Q9L](https://data.pdbj.org/pdbjplus/data/cc/svg/Q9L.svg) | Q9L | Name: | 4-(4-chlorophenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid | Formula: | C25 H18 Cl N O4 S | SMILES: | OC(=O)c1ccc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4 | InChi: | InChI=1S/C25H18ClNO4S/c26-21-11-6-19(7-12-21)20-10-15-23(25(28)29)24(16-20)27-32(30,31)22-13-8-18(9-14-22)17-4-2-1-3-5-17/h1-16,27H,(H,28,29) | Definition date: | 2023-03-28 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | 4-(4-chlorophenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid |
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![Q9R Q9R](https://data.pdbj.org/pdbjplus/data/cc/svg/Q9R.svg) | Q9R | Name: | 5-(3-chloranyl-4-fluoranyl-phenyl)-2-oxidanyl-3-[(4-phenylphenyl)sulfonylamino]benzoic acid | Formula: | C25 H17 Cl F N O5 S | SMILES: | OC(=O)c1cc(cc(N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c1O)c4ccc(F)c(Cl)c4 | InChi: | InChI=1S/C25H17ClFNO5S/c26-21-13-17(8-11-22(21)27)18-12-20(25(30)31)24(29)23(14-18)28-34(32,33)19-9-6-16(7-10-19)15-4-2-1-3-5-15/h1-14,28-29H,(H,30,31) | Definition date: | 2023-03-28 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | 5-(3-chloranyl-4-fluoranyl-phenyl)-2-oxidanyl-3-[(4-phenylphenyl)sulfonylamino]benzoic acid |
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![QA0 QA0](https://data.pdbj.org/pdbjplus/data/cc/svg/QA0.svg) | QA0 | Name: | 5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]phthalic acid | Formula: | C26 H18 Cl N O6 S | SMILES: | OC(=O)c1cc(cc(N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c1C(O)=O)c4ccc(Cl)cc4 | InChi: | InChI=1S/C26H18ClNO6S/c27-20-10-6-18(7-11-20)19-14-22(25(29)30)24(26(31)32)23(15-19)28-35(33,34)21-12-8-17(9-13-21)16-4-2-1-3-5-16/h1-15,28H,(H,29,30)(H,31,32) | Definition date: | 2023-03-28 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | 5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]phthalic acid |
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![QA3 QA3](https://data.pdbj.org/pdbjplus/data/cc/svg/QA3.svg) | QA3 | Name: | 4-(4-chloranyl-2-oxidanyl-phenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid | Formula: | C25 H18 Cl N O5 S | SMILES: | OC(=O)c1ccc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4O | InChi: | InChI=1S/C25H18ClNO5S/c26-19-9-13-21(24(28)15-19)18-8-12-22(25(29)30)23(14-18)27-33(31,32)20-10-6-17(7-11-20)16-4-2-1-3-5-16/h1-15,27-28H,(H,29,30) | Definition date: | 2023-03-28 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | 4-(4-chloranyl-2-oxidanyl-phenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid |
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![QAI QAI](https://data.pdbj.org/pdbjplus/data/cc/svg/QAI.svg) | QAI | Name: | 5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]thiophene-2-carboxylic acid | Formula: | C23 H16 Cl N O4 S2 | SMILES: | OC(=O)c1sc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4 | InChi: | InChI=1S/C23H16ClNO4S2/c24-18-10-6-17(7-11-18)21-14-20(22(30-21)23(26)27)25-31(28,29)19-12-8-16(9-13-19)15-4-2-1-3-5-15/h1-14,25H,(H,26,27) | Definition date: | 2023-03-29 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | 5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]thiophene-2-carboxylic acid |
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![QB2 QB2](https://data.pdbj.org/pdbjplus/data/cc/svg/QB2.svg) | QB2 | Name: | 2-[(2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid | Formula: | C22 H18 Cl2 F3 N3 O6 S | SMILES: | OC[CH]1O[CH](Sc2ccc(Cl)c(Cl)c2)[CH](OCC(O)=O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4 | InChi: | InChI=1S/C22H18Cl2F3N3O6S/c23-11-2-1-10(5-12(11)24)37-22-21(35-8-17(32)33)19(20(34)16(7-31)36-22)30-6-15(28-29-30)9-3-13(25)18(27)14(26)4-9/h1-6,16,19-22,31,34H,7-8H2,(H,32,33)/t16-,19+,20+,21-,22-/m1/s1 | Definition date: | 2023-03-29 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | 2-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid |
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