![XZF XZF](https://data.pdbj.org/pdbjplus/data/cc/svg/XZF.svg) | XZF | Name: | Polythiazide | Formula: | C11 H13 Cl F3 N3 O4 S3 | SMILES: | NS(=O)(=O)c1cc2c(NC(CSCC(F)(F)F)N(C)S2(=O)=O)cc1Cl | InChi: | InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)/t10-/m0/s1 | Synonyms: | (3S)-6-chloro-2-methyl-1,1-dioxo-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide | Definition date: | 2022-12-15 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | (3S)-6-chloro-2-methyl-1,1-dioxo-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide |
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![YHK YHK](https://data.pdbj.org/pdbjplus/data/cc/svg/YHK.svg) | YHK | Name: | 5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine | Formula: | C13 H18 N5 O7 P | SMILES: | O=P(O)(OC1CC1)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | InChi: | InChI=1S/C13H18N5O7P/c14-11-8-12(16-4-15-11)18(5-17-8)13-10(20)9(19)7(24-13)3-23-26(21,22)25-6-1-2-6/h4-7,9-10,13,19-20H,1-3H2,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1 | Definition date: | 2023-02-03 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | 5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine |
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![YHQ YHQ](https://data.pdbj.org/pdbjplus/data/cc/svg/YHQ.svg) | YHQ | Name: | 5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine | Formula: | C13 H20 N5 O7 P | SMILES: | CC(C)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | InChi: | InChI=1S/C13H20N5O7P/c1-6(2)25-26(21,22)23-3-7-9(19)10(20)13(24-7)18-5-17-8-11(14)15-4-16-12(8)18/h4-7,9-10,13,19-20H,3H2,1-2H3,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1 | Definition date: | 2023-02-03 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | 5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine |
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![YHT YHT](https://data.pdbj.org/pdbjplus/data/cc/svg/YHT.svg) | YHT | Name: | 5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine | Formula: | C13 H16 N5 O7 P | SMILES: | O=P(O)(OCC#C)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | InChi: | InChI=1S/C13H16N5O7P/c1-2-3-23-26(21,22)24-4-7-9(19)10(20)13(25-7)18-6-17-8-11(14)15-5-16-12(8)18/h1,5-7,9-10,13,19-20H,3-4H2,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1 | Definition date: | 2023-02-03 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | 5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine |
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![5P0 5P0](https://data.pdbj.org/pdbjplus/data/cc/svg/5P0.svg) | 5P0 | Name: | (3Z,6S)-3-[(2R)-2-methyl-2,3-bis(oxidanyl)propylidene]-6-[(2S)-4-oxidanylbutan-2-yl]piperazine-2,5-dione | Formula: | C12 H20 N2 O5 | SMILES: | C[CH](CCO)[CH]1NC(=O)C(NC1=O)=C[C](C)(O)CO | InChi: | InChI=1S/C12H20N2O5/c1-7(3-4-15)9-11(18)13-8(10(17)14-9)5-12(2,19)6-16/h5,7,9,15-16,19H,3-4,6H2,1-2H3,(H,13,18)(H,14,17)/b8-5-/t7-,9-,12+/m0/s1 | Definition date: | 2021-08-23 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | (3~{Z},6~{S})-3-[(2~{R})-2-methyl-2,3-bis(oxidanyl)propylidene]-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione |
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![Y05 Y05](https://data.pdbj.org/pdbjplus/data/cc/svg/Y05.svg) | Y05 | Name: | N-[(1S)-1-{(3P)-3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide | Formula: | C41 H38 Cl F6 N9 O5 S | SMILES: | CC1CN(CC(C)O1)c1cc2N=C(C(Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)F)c4c3C(F)(F)C3CC34)N(c3ccc(Cl)c4c(NS(C)(=O)=O)nn(C)c43)C(=O)c2cc1 | InChi: | InChI=1S/C41H38ClF6N9O5S/c1-18-15-55(16-19(2)62-18)23-5-6-24-28(13-23)50-39(57(40(24)59)30-8-7-27(42)33-35(30)54(3)52-38(33)53-63(4,60)61)29(11-20-9-21(43)12-22(44)10-20)49-31(58)17-56-36-32(34(51-56)37(45)46)25-14-26(25)41(36,47)48/h5-10,12-13,18-19,25-26,29,37H,11,14-17H2,1-4H3,(H,49,58)(H,52,53)/t18-,19+,25-,26+,29-/m0/s1 | Definition date: | 2022-12-19 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | N-[(1S)-1-{(3P)-3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide |
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![WMO WMO](https://data.pdbj.org/pdbjplus/data/cc/svg/WMO.svg) | WMO | Name: | N-(2-methoxyethyl)-4-sulfamoylbenzamide | Formula: | C10 H14 N2 O4 S | SMILES: | O=S(N)(=O)c1ccc(cc1)C(=O)NCCOC | InChi: | InChI=1S/C10H14N2O4S/c1-16-7-6-12-10(13)8-2-4-9(5-3-8)17(11,14)15/h2-5H,6-7H2,1H3,(H,12,13)(H2,11,14,15) | Definition date: | 2022-09-29 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | N-(2-methoxyethyl)-4-sulfamoylbenzamide |
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![UX5 UX5](https://data.pdbj.org/pdbjplus/data/cc/svg/UX5.svg) | UX5 | Name: | N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide | Formula: | C15 H15 N5 O2 | SMILES: | CC1=C(C=NC2=CC(=O)NN12)C(=O)NCc3ccc(N)cc3 | InChi: | InChI=1S/C15H15N5O2/c1-9-12(8-17-13-6-14(21)19-20(9)13)15(22)18-7-10-2-4-11(16)5-3-10/h2-6,8H,7,16H2,1H3,(H,18,22)(H,19,21) | Synonyms: | ~{N}-[(4-aminophenyl)methyl]-7-methyl-2-oxidanylidene-1,6-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide | Definition date: | 2021-03-25 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | ~{N}-[(4-aminophenyl)methyl]-7-methyl-2-oxidanylidene-1~{H}-pyrazolo[1,5-a]pyrimidine-6-carboxamide |
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![X7H X7H](https://data.pdbj.org/pdbjplus/data/cc/svg/X7H.svg) | X7H | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(2-chloroacetamido)benzene-1-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate | Formula: | C29 H38 Cl N3 O8 S | SMILES: | ClCC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12 | InChi: | InChI=1S/C29H38ClN3O8S/c1-19(2)16-33(42(37,38)22-10-8-21(9-11-22)31-27(35)15-30)17-25(34)24(14-20-6-4-3-5-7-20)32-29(36)41-26-18-40-28-23(26)12-13-39-28/h3-11,19,23-26,28,34H,12-18H2,1-2H3,(H,31,35)(H,32,36)/t23-,24-,25+,26-,28+/m0/s1 | Definition date: | 2022-11-03 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(2-chloroacetamido)benzene-1-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
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![X8R X8R](https://data.pdbj.org/pdbjplus/data/cc/svg/X8R.svg) | X8R | Name: | 1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one | Formula: | C10 H16 N2 O2 | SMILES: | CC(=O)N1C2CC3CC1CC(C2)N3O | InChi: | InChI=1S/C10H16N2O2/c1-6(13)11-7-2-9-4-8(11)5-10(3-7)12(9)14/h7-10,14H,2-5H2,1H3/t7-,8+,9-,10+ | Definition date: | 2022-11-07 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | 1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one |
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![5UQ 5UQ](https://data.pdbj.org/pdbjplus/data/cc/svg/5UQ.svg) | 5UQ | Name: | (3S,6S)-3-((R)-2,3-dihydroxy-2-methylpropyl)-6-((S)-4-hydroxybutan-2-yl)piperazine-2,5-dione | Formula: | C12 H22 N2 O5 | SMILES: | C[CH](CCO)[CH]1NC(=O)[CH](C[C](C)(O)CO)NC1=O | InChi: | InChI=1S/C12H22N2O5/c1-7(3-4-15)9-11(18)13-8(10(17)14-9)5-12(2,19)6-16/h7-9,15-16,19H,3-6H2,1-2H3,(H,13,18)(H,14,17)/t7-,8-,9-,12+/m0/s1 | Definition date: | 2021-08-24 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | (3~{S},6~{S})-3-[(2~{R})-2-methyl-2,3-bis(oxidanyl)propyl]-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione |
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![V0Z V0Z](https://data.pdbj.org/pdbjplus/data/cc/svg/V0Z.svg) | V0Z | Name: | N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide | Formula: | C14 H13 N5 O2 | SMILES: | CC1=C(C=NC2=CC(=O)NN12)C(=O)Nc3ccc(N)cc3 | InChi: | InChI=1S/C14H13N5O2/c1-8-11(7-16-12-6-13(20)18-19(8)12)14(21)17-10-4-2-9(15)3-5-10/h2-7H,15H2,1H3,(H,17,21)(H,18,20) | Synonyms: | ~{N}-(4-aminophenyl)-7-methyl-2-oxidanylidene-1~{H}-pyrazolo[1,5-a]pyrimidine-6-carboxamide | Definition date: | 2021-04-01 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | ~{N}-(4-aminophenyl)-7-methyl-2-oxidanylidene-1~{H}-pyrazolo[1,5-a]pyrimidine-6-carboxamide |
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![5WI 5WI](https://data.pdbj.org/pdbjplus/data/cc/svg/5WI.svg) | 5WI | Name: | (3S,6Z)-3-[(2S)-butan-2-yl]-6-[(2R)-2-methyl-2,3-bis(oxidanyl)propylidene]piperazine-2,5-dione | Formula: | C12 H20 N2 O4 | SMILES: | CC[CH](C)[CH]1NC(=O)C(NC1=O)=C[C](C)(O)CO | InChi: | InChI=1S/C12H20N2O4/c1-4-7(2)9-11(17)13-8(10(16)14-9)5-12(3,18)6-15/h5,7,9,15,18H,4,6H2,1-3H3,(H,13,17)(H,14,16)/b8-5-/t7-,9-,12+/m0/s1 | Definition date: | 2021-08-24 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | (3~{S},6~{Z})-3-[(2~{S})-butan-2-yl]-6-[(2~{R})-2-methyl-2,3-bis(oxidanyl)propylidene]piperazine-2,5-dione |
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![OIH OIH](https://data.pdbj.org/pdbjplus/data/cc/svg/OIH.svg) | OIH | Name: | 1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyrrole-2-carboxylic acid | Formula: | C28 H32 Cl F N4 O3 | SMILES: | CC(C)CN(C1CCCCC1)c2ccc(cc2NC(=O)Nc3ccc(Cl)cc3F)n4cccc4C(O)=O | InChi: | InChI=1S/C28H32ClFN4O3/c1-18(2)17-34(20-7-4-3-5-8-20)25-13-11-21(33-14-6-9-26(33)27(35)36)16-24(25)32-28(37)31-23-12-10-19(29)15-22(23)30/h6,9-16,18,20H,3-5,7-8,17H2,1-2H3,(H,35,36)(H2,31,32,37) | Definition date: | 2023-02-02 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | 1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyrrole-2-carboxylic acid |
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![Q6O Q6O](https://data.pdbj.org/pdbjplus/data/cc/svg/Q6O.svg) | Q6O | Name: | N-(4-chloro-2,5-dimethoxyphenyl)acetamide | Formula: | C10 H12 Cl N O3 | SMILES: | COc1cc(NC(C)=O)c(cc1Cl)OC | InChi: | InChI=1S/C10H12ClNO3/c1-6(13)12-8-5-9(14-2)7(11)4-10(8)15-3/h4-5H,1-3H3,(H,12,13) | Definition date: | 2022-06-01 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | N-(4-chloro-2,5-dimethoxyphenyl)acetamide |
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![Q7L Q7L](https://data.pdbj.org/pdbjplus/data/cc/svg/Q7L.svg) | Q7L | Name: | (3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole | Formula: | C10 H8 N2 O2 | SMILES: | c1cc(cc2OCOc12)c1cc[NH]n1 | InChi: | InChI=1S/C10H8N2O2/c1-2-9-10(14-6-13-9)5-7(1)8-3-4-11-12-8/h1-5H,6H2,(H,11,12) | Definition date: | 2022-06-01 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | (3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole |
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![NQF NQF](https://data.pdbj.org/pdbjplus/data/cc/svg/NQF.svg) | NQF | Name: | (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide | Formula: | C23 H24 N4 O3 | SMILES: | NC1CCc2cc(cnc2NC1=O)/C=C/C(=O)N(C)Cc1oc2ccccc2c1C | InChi: | InChI=1S/C23H24N4O3/c1-14-17-5-3-4-6-19(17)30-20(14)13-27(2)21(28)10-7-15-11-16-8-9-18(24)23(29)26-22(16)25-12-15/h3-7,10-12,18H,8-9,13,24H2,1-2H3,(H,25,26,29)/b10-7+/t18-/m1/s1 | Definition date: | 2022-04-07 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide |
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![KL9 KL9](https://data.pdbj.org/pdbjplus/data/cc/svg/KL9.svg) | KL9 | Name: | 7-amino-N-(2-{4-[(1R,3s,5S)-8-azabicyclo[3.2.1]octan-3-yl]phenyl}ethyl)-3-methylthieno[2,3-b]pyrazine-6-carboxamide | Formula: | C23 H27 N5 O S | SMILES: | Cc1nc2sc(c(N)c2nc1)C(=O)NCCc1ccc(cc1)C1CC2CCC(N2)C1 | InChi: | InChI=1S/C23H27N5OS/c1-13-12-26-20-19(24)21(30-23(20)27-13)22(29)25-9-8-14-2-4-15(5-3-14)16-10-17-6-7-18(11-16)28-17/h2-5,12,16-18,28H,6-11,24H2,1H3,(H,25,29)/t16-,17-,18+ | Definition date: | 2022-02-04 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | 7-amino-N-(2-{4-[(1R,3s,5S)-8-azabicyclo[3.2.1]octan-3-yl]phenyl}ethyl)-3-methylthieno[2,3-b]pyrazine-6-carboxamide |
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![KLU KLU](https://data.pdbj.org/pdbjplus/data/cc/svg/KLU.svg) | KLU | Name: | (2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide | Formula: | C11 H11 Cl N2 O3 | SMILES: | ClCC(=O)N1CC(Oc2ccccc21)C(N)=O | InChi: | InChI=1S/C11H11ClN2O3/c12-5-10(15)14-6-9(11(13)16)17-8-4-2-1-3-7(8)14/h1-4,9H,5-6H2,(H2,13,16)/t9-/m0/s1 | Definition date: | 2022-02-04 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | (2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide |
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![RLO RLO](https://data.pdbj.org/pdbjplus/data/cc/svg/RLO.svg) | RLO | Name: | (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-quinolin-6-ylprop-2-enyl]oxane-3,4,5-triol | Formula: | C18 H21 N O5 | SMILES: | OC[CH]1O[CH](CC=Cc2ccc3ncccc3c2)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C18H21NO5/c20-10-15-17(22)18(23)16(21)14(24-15)5-1-3-11-6-7-13-12(9-11)4-2-8-19-13/h1-4,6-9,14-18,20-23H,5,10H2/b3-1+/t14-,15-,16-,17-,18-/m1/s1 | Synonyms: | (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-((E)-3-(quinolin-6-yl)allyl)tetrahydro-2H-pyran-3,4,5-triol | Definition date: | 2022-12-05 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | (2~{R},3~{S},4~{R},5~{S},6~{R})-2-(hydroxymethyl)-6-[(~{E})-3-quinolin-6-ylprop-2-enyl]oxane-3,4,5-triol |
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![QE0 QE0](https://data.pdbj.org/pdbjplus/data/cc/svg/QE0.svg) | QE0 | Name: | (2~{S},4~{R})-~{N}-[(1~{S})-1-[4-chloranyl-2-(2-methoxyethoxy)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide | Formula: | C25 H34 Cl N3 O6 | SMILES: | COCCOc1cc(Cl)ccc1[CH](C)NC(=O)[CH]2C[CH](O)CN2C(=O)[CH](C(C)C)c3onc(C)c3 | InChi: | InChI=1S/C25H34ClN3O6/c1-14(2)23(22-10-15(3)28-35-22)25(32)29-13-18(30)12-20(29)24(31)27-16(4)19-7-6-17(26)11-21(19)34-9-8-33-5/h6-7,10-11,14,16,18,20,23,30H,8-9,12-13H2,1-5H3,(H,27,31)/t16-,18+,20-,23+/m0/s1 | Definition date: | 2022-10-26 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | (2~{S},4~{R})-~{N}-[(1~{S})-1-[4-chloranyl-2-(2-methoxyethoxy)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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![QE9 QE9](https://data.pdbj.org/pdbjplus/data/cc/svg/QE9.svg) | QE9 | Name: | (2~{S},4~{R})-~{N}-[[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide | Formula: | C28 H36 N4 O6 S | SMILES: | COCCOc1cc(ccc1CNC(=O)[CH]2C[CH](O)CN2C(=O)[CH](C(C)C)c3onc(C)c3)c4scnc4C | InChi: | InChI=1S/C28H36N4O6S/c1-16(2)25(24-10-17(3)31-38-24)28(35)32-14-21(33)12-22(32)27(34)29-13-20-7-6-19(26-18(4)30-15-39-26)11-23(20)37-9-8-36-5/h6-7,10-11,15-16,21-22,25,33H,8-9,12-14H2,1-5H3,(H,29,34)/t21-,22+,25-/m1/s1 | Definition date: | 2022-10-26 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | (2~{S},4~{R})-~{N}-[[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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![KNX KNX](https://data.pdbj.org/pdbjplus/data/cc/svg/KNX.svg) | KNX | Name: | 5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine | Formula: | C27 H36 Cl2 N8 O5 | SMILES: | O=C(O)C(N)CCN(CCCCC1CNCc2c1ccc(Cl)c2Cl)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O | InChi: | InChI=1S/C27H36Cl2N8O5/c28-17-5-4-15-14(9-32-10-16(15)20(17)29)3-1-2-7-36(8-6-18(30)27(40)41)11-19-22(38)23(39)26(42-19)37-13-35-21-24(31)33-12-34-25(21)37/h4-5,12-14,18-19,22-23,26,32,38-39H,1-3,6-11,30H2,(H,40,41)(H2,31,33,34)/t14-,18-,19+,22+,23+,26+/m0/s1 | Definition date: | 2022-02-08 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | 5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine |
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![QF3 QF3](https://data.pdbj.org/pdbjplus/data/cc/svg/QF3.svg) | QF3 | Name: | (2~{S},4~{R})-~{N}-[(1~{S})-1-[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide | Formula: | C29 H38 N4 O6 S | SMILES: | COCCOc1cc(ccc1[CH](C)NC(=O)[CH]2C[CH](O)CN2C(=O)[CH](C(C)C)c3onc(C)c3)c4scnc4C | InChi: | InChI=1S/C29H38N4O6S/c1-16(2)26(25-11-17(3)32-39-25)29(36)33-14-21(34)13-23(33)28(35)31-18(4)22-8-7-20(27-19(5)30-15-40-27)12-24(22)38-10-9-37-6/h7-8,11-12,15-16,18,21,23,26,34H,9-10,13-14H2,1-6H3,(H,31,35)/t18-,21+,23-,26+/m0/s1 | Definition date: | 2022-10-26 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | (2~{S},4~{R})-~{N}-[(1~{S})-1-[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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![QF7 QF7](https://data.pdbj.org/pdbjplus/data/cc/svg/QF7.svg) | QF7 | Name: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-4-oxidanyl-pyrrolidine-2-carboxamide | Formula: | C29 H38 F N5 O5 S | SMILES: | CNC(=O)C[CH](NC(=O)[CH]1C[CH](O)CN1C(=O)[CH](NC(=O)C2(F)CC2)C(C)(C)C)c3ccc(cc3)c4scnc4C | InChi: | InChI=1S/C29H38FN5O5S/c1-16-23(41-15-32-16)18-8-6-17(7-9-18)20(13-22(37)31-5)33-25(38)21-12-19(36)14-35(21)26(39)24(28(2,3)4)34-27(40)29(30)10-11-29/h6-9,15,19-21,24,36H,10-14H2,1-5H3,(H,31,37)(H,33,38)(H,34,40)/t19-,20+,21+,24-/m1/s1 | Definition date: | 2022-10-26 | Last modified: | 2023-02-10 | Release date: | 2023-02-15 | Identifier: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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