![UYQ UYQ](https://data.pdbj.org/pdbjplus/data/cc/svg/UYQ.svg) | UYQ | Name: | [[(2E)-2-[[4-[(E)-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium | Formula: | C10 H16 N8 | SMILES: | NC(=[NH2+])NN=Cc1ccc(cc1)C=NNC(N)=[NH2+] | InChi: | InChI=1S/C10H14N8/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)/p+2/b15-5+,16-6+ | Definition date: | 2021-03-30 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | [[(2~{E})-2-[[4-[(~{E})-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium |
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![UYT UYT](https://data.pdbj.org/pdbjplus/data/cc/svg/UYT.svg) | UYT | Name: | [azanyl-[(2E)-2-(1-phenylethylidene)hydrazinyl]methylidene]azanium | Formula: | C9 H13 N4 | SMILES: | CC(=NNC(N)=[NH2+])c1ccccc1 | InChi: | InChI=1S/C9H12N4/c1-7(12-13-9(10)11)8-5-3-2-4-6-8/h2-6H,1H3,(H4,10,11,13)/p+1/b12-7+ | Synonyms: | Diaminomethylidene-[(Z)-1-phenylethylideneamino]azanium | Definition date: | 2021-03-30 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | [azanyl-[(2~{E})-2-(1-phenylethylidene)hydrazinyl]methylidene]azanium |
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![UYW UYW](https://data.pdbj.org/pdbjplus/data/cc/svg/UYW.svg) | UYW | Name: | [azanyl-[(2E)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium | Formula: | C15 H16 Cl N4 O | SMILES: | NC(=[NH2+])NN=Cc1ccccc1OCc2ccc(Cl)cc2 | InChi: | InChI=1S/C15H15ClN4O/c16-13-7-5-11(6-8-13)10-21-14-4-2-1-3-12(14)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20)/p+1/b19-9+ | Definition date: | 2021-03-30 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | [azanyl-[(2~{E})-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium |
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![UZ5 UZ5](https://data.pdbj.org/pdbjplus/data/cc/svg/UZ5.svg) | UZ5 | Name: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-bis(fluoranyl)phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one | Formula: | C27 H37 F2 N7 O | SMILES: | CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4cc(F)c(CN5CCC(C)(C)CC5)cc4F | InChi: | InChI=1S/C27H37F2N7O/c1-26(2)4-8-34(9-5-26)15-19-12-21(29)22(13-20(19)28)36-16-25(37)33-27(17-36)6-10-35(11-7-27)24-14-23(30-3)31-18-32-24/h12-14,18H,4-11,15-17H2,1-3H3,(H,33,37)(H,30,31,32) | Definition date: | 2021-03-30 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-bis(fluoranyl)phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
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![UZE UZE](https://data.pdbj.org/pdbjplus/data/cc/svg/UZE.svg) | UZE | Name: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one | Formula: | C27 H38 F N7 O | SMILES: | CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)cc4F | InChi: | InChI=1S/C27H38FN7O/c1-26(2)6-10-33(11-7-26)16-20-4-5-22(21(28)14-20)35-17-25(36)32-27(18-35)8-12-34(13-9-27)24-15-23(29-3)30-19-31-24/h4-5,14-15,19H,6-13,16-18H2,1-3H3,(H,32,36)(H,29,30,31) | Definition date: | 2021-03-30 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
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![UZH UZH](https://data.pdbj.org/pdbjplus/data/cc/svg/UZH.svg) | UZH | Name: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-3-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one | Formula: | C27 H38 F N7 O | SMILES: | CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)c(F)c4 | InChi: | InChI=1S/C27H38FN7O/c1-26(2)6-10-33(11-7-26)16-20-4-5-21(14-22(20)28)35-17-25(36)32-27(18-35)8-12-34(13-9-27)24-15-23(29-3)30-19-31-24/h4-5,14-15,19H,6-13,16-18H2,1-3H3,(H,32,36)(H,29,30,31) | Definition date: | 2021-03-30 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-3-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
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![W8M W8M](https://data.pdbj.org/pdbjplus/data/cc/svg/W8M.svg) | W8M | Name: | 2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate | Formula: | C27 H22 Cl2 N2 O3 | SMILES: | c4(c1c(cccc1)Cl)c(c2c(cccc2)Cl)nc(c3cccc(c3OC(COC)=O)CC=C)n4 | InChi: | InChI=1S/C27H22Cl2N2O3/c1-3-9-17-10-8-13-20(26(17)34-23(32)16-33-2)27-30-24(18-11-4-6-14-21(18)28)25(31-27)19-12-5-7-15-22(19)29/h3-8,10-15H,1,9,16H2,2H3,(H,30,31) | Definition date: | 2020-09-29 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate |
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![T0H T0H](https://data.pdbj.org/pdbjplus/data/cc/svg/T0H.svg) | T0H | Name: | (1R,3S,Z)-5-(2-((3aS,7aS,E)-1-(6-hydroxy-6-methylhept-1-en-1-ylidene)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol | Formula: | C27 H40 O3 | SMILES: | CC(C)(O)CCC[CH]=[C]=[C]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C | InChi: | InChI=1S/C27H40O3/c1-19-21(17-23(28)18-25(19)29)12-11-20-9-8-16-27(4)22(13-14-24(20)27)10-6-5-7-15-26(2,3)30/h6,11-12,23-25,28-30H,1,5,7-9,13-18H2,2-4H3/b20-11+,21-12-/t10?,23-,24+,25+,27-/m1/s1 | Synonyms: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-(6-methyl-6-oxidanyl-hept-1-enylidene)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol | Definition date: | 2020-12-09 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-(6-methyl-6-oxidanyl-hept-1-enylidene)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
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![XSS XSS](https://data.pdbj.org/pdbjplus/data/cc/svg/XSS.svg) | XSS | Name: | 1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | Formula: | C37 H44 F6 N6 O9 S | SMILES: | C46C(NC(C1N(CC(C1)Oc3nc2c(cc(cc2)OC)nc3C(F)(F)F)C(C(CCCCCC=C4)NC(=O)OC(C)(C)C(F)(F)F)=O)=O)(C(NS(C5(CC5)C)(=O)=O)=O)C6 | InChi: | InChI=1S/C37H44F6N6O9S/c1-33(2,37(41,42)43)58-32(53)46-24-11-9-7-5-6-8-10-20-18-35(20,31(52)48-59(54,55)34(3)14-15-34)47-28(50)26-17-22(19-49(26)30(24)51)57-29-27(36(38,39)40)44-25-16-21(56-4)12-13-23(25)45-29/h8,10,12-13,16,20,22,24,26H,5-7,9,11,14-15,17-19H2,1-4H3,(H,46,53)(H,47,50)(H,48,52)/b10-8-/t20-,22-,24+,26+,35-/m1/s1 | Synonyms: | NR01-129 | Definition date: | 2021-01-11 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
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![XSV XSV](https://data.pdbj.org/pdbjplus/data/cc/svg/XSV.svg) | XSV | Name: | 1-(trifluoromethyl)cyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | Formula: | C38 H44 F6 N6 O9 S | SMILES: | C47C(NC(C1N(CC(C1)Oc3nc2c(cc(cc2)OC)nc3C(F)(F)F)C(C(CCCCCC=C4)NC(=O)OC5(CCC5)C(F)(F)F)=O)=O)(C(NS(C6(CC6)C)(=O)=O)=O)C7 | InChi: | InChI=1S/C38H44F6N6O9S/c1-34(15-16-34)60(55,56)49-32(53)36-19-21(36)9-6-4-3-5-7-10-25(47-33(54)59-35(13-8-14-35)38(42,43)44)31(52)50-20-23(18-27(50)29(51)48-36)58-30-28(37(39,40)41)45-26-17-22(57-2)11-12-24(26)46-30/h6,9,11-12,17,21,23,25,27H,3-5,7-8,10,13-16,18-20H2,1-2H3,(H,47,54)(H,48,51)(H,49,53)/b9-6-/t21-,23-,25+,27+,36-/m1/s1 | Synonyms: | NR02-59 | Definition date: | 2021-01-12 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 1-(trifluoromethyl)cyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
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![XSY XSY](https://data.pdbj.org/pdbjplus/data/cc/svg/XSY.svg) | XSY | Name: | (1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | Formula: | C39 H47 F3 N6 O9 S | SMILES: | C48C(NC(C1N(CC(C1)Oc3nc2c(cc(cc2)OC)nc3C(F)(F)F)C(C(CCCCCC=C4)NC(=O)OC5CC6C(C5)C6)=O)=O)(C(NS(C7(CC7)C)(=O)=O)=O)C8 | InChi: | InChI=1S/C39H47F3N6O9S/c1-37(12-13-37)58(53,54)47-35(51)38-19-23(38)8-6-4-3-5-7-9-28(45-36(52)57-25-15-21-14-22(21)16-25)34(50)48-20-26(18-30(48)32(49)46-38)56-33-31(39(40,41)42)43-29-17-24(55-2)10-11-27(29)44-33/h6,8,10-11,17,21-23,25-26,28,30H,3-5,7,9,12-16,18-20H2,1-2H3,(H,45,52)(H,46,49)(H,47,51)/b8-6-/t21-,22+,23-,25+,26-,28+,30+,38-/m1/s1 | Definition date: | 2021-01-12 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | (1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
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![XT4 XT4](https://data.pdbj.org/pdbjplus/data/cc/svg/XT4.svg) | XT4 | Name: | tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | Formula: | C37 H47 F3 N6 O9 S | SMILES: | C15CC1(NC(C4CC(Oc3nc2c(cc(cc2)OC)nc3C(F)(F)F)CN4C(C(NC(OC(C)(C)C)=O)CCCCCC=C5)=O)=O)C(NS(C6(C)CC6)(=O)=O)=O | InChi: | InChI=1S/C37H47F3N6O9S/c1-34(2,3)55-33(50)43-25-12-10-8-6-7-9-11-21-19-36(21,32(49)45-56(51,52)35(4)15-16-35)44-29(47)27-18-23(20-46(27)31(25)48)54-30-28(37(38,39)40)41-26-17-22(53-5)13-14-24(26)42-30/h9,11,13-14,17,21,23,25,27H,6-8,10,12,15-16,18-20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b11-9-/t21-,23-,25+,27+,36-/m1/s1 | Definition date: | 2021-01-12 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
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![XY7 XY7](https://data.pdbj.org/pdbjplus/data/cc/svg/XY7.svg) | XY7 | Name: | 1-[2-deoxy-5-O-(dihydroxyphosphanyl)-2-fluoro-beta-L-ribofuranosyl]pyrimidine-2,4(1H,3H)-dione | Formula: | C9 H12 F N2 O7 P | SMILES: | C2(NC(=O)N(C1OC(C(C1F)O)COP(O)O)C=C2)=O | InChi: | InChI=1S/C9H12FN2O7P/c10-6-7(14)4(3-18-20(16)17)19-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14,16-17H,3H2,(H,11,13,15)/t4-,6-,7-,8-/m0/s1 | Definition date: | 2021-01-19 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 1-[2-deoxy-5-O-(dihydroxyphosphanyl)-2-fluoro-beta-L-ribofuranosyl]pyrimidine-2,4(1H,3H)-dione |
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![YAG YAG](https://data.pdbj.org/pdbjplus/data/cc/svg/YAG.svg) | YAG | Name: | 4-(hydroxymethyl)-1-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-ol | Formula: | C17 H22 N2 O3 S | SMILES: | COc1cccc(c1)c2sc(CN3CCC(O)(CO)CC3)cn2 | InChi: | InChI=1S/C17H22N2O3S/c1-22-14-4-2-3-13(9-14)16-18-10-15(23-16)11-19-7-5-17(21,12-20)6-8-19/h2-4,9-10,20-21H,5-8,11-12H2,1H3 | Definition date: | 2021-02-15 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 4-(hydroxymethyl)-1-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-ol |
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![YAJ YAJ](https://data.pdbj.org/pdbjplus/data/cc/svg/YAJ.svg) | YAJ | Name: | ~{N}-[(3~{R},5~{S})-5-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-2-(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)ethanamide | Formula: | C16 H21 N3 O4 | SMILES: | CN1C[CH](C[CH]1CO)NC(=O)Cc2ccc3OCC(=O)Nc3c2 | InChi: | InChI=1S/C16H21N3O4/c1-19-7-11(6-12(19)8-20)17-15(21)5-10-2-3-14-13(4-10)18-16(22)9-23-14/h2-4,11-12,20H,5-9H2,1H3,(H,17,21)(H,18,22)/t11-,12+/m1/s1 | Definition date: | 2021-02-15 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | ~{N}-[(3~{R},5~{S})-5-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-2-(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)ethanamide |
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![YRM YRM](https://data.pdbj.org/pdbjplus/data/cc/svg/YRM.svg) | YRM | Name: | (5S)-6,6-dimethyl-8-[(4S)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione | Formula: | C17 H18 F3 N5 O2 | SMILES: | FC(F)(F)c1cc(n2cncc2c1)N1CCC2(NC(=O)NC2=O)C(C)(C)C1 | InChi: | InChI=1S/C17H18F3N5O2/c1-15(2)8-24(4-3-16(15)13(26)22-14(27)23-16)12-6-10(17(18,19)20)5-11-7-21-9-25(11)12/h5-7,9H,3-4,8H2,1-2H3,(H2,22,23,26,27)/t16-/m1/s1 | Definition date: | 2021-03-29 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | (5S)-6,6-dimethyl-8-[(4S)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione |
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![YRP YRP](https://data.pdbj.org/pdbjplus/data/cc/svg/YRP.svg) | YRP | Name: | (2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide | Formula: | C22 H20 Cl F2 N3 O | SMILES: | Clc1ccc(cc1)NC(=O)C(C)C1C2CC(CC21)n1cnc2cc(F)c(F)cc21 | InChi: | InChI=1S/C22H20ClF2N3O/c1-11(22(29)27-13-4-2-12(23)3-5-13)21-15-6-14(7-16(15)21)28-10-26-19-8-17(24)18(25)9-20(19)28/h2-5,8-11,14-16,21H,6-7H2,1H3,(H,27,29)/t11-,14-,15-,16+,21+/m1/s1 | Definition date: | 2021-03-29 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | (2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide |
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![PA1 PA1](https://data.pdbj.org/pdbjplus/data/cc/svg/PA1.svg) | PA1 | Name: | 2-amino-2-deoxy-alpha-D-glucopyranose | Formula: | C6 H13 N O5 | SMILES: | OC1C(O)C(OC(O)C1N)CO | InChi: | InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6+/m1/s1 | Synonyms: | alpah-D-glucosamine | Definition date: | 1999-07-08 | Last modified: | 2021-08-24 | Identifier: | 2-amino-2-deoxy-alpha-D-glucopyranose |
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![A4W A4W](https://data.pdbj.org/pdbjplus/data/cc/svg/A4W.svg) | A4W | Name: | ~{N}-(3-chloranyl-2-fluoranyl-phenyl)-3-sulfanyl-propanamide | Formula: | C9 H9 Cl F N O S | SMILES: | Fc1c(Cl)cccc1NC(=O)CCS | InChi: | InChI=1S/C9H9ClFNOS/c10-6-2-1-3-7(9(6)11)12-8(13)4-5-14/h1-3,14H,4-5H2,(H,12,13) | Definition date: | 2017-08-16 | Last modified: | 2021-08-23 | Release date: | 2017-11-01 | Identifier: | ~{N}-(3-chloranyl-2-fluoranyl-phenyl)-3-sulfanyl-propanamide |
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![NLW NLW](https://data.pdbj.org/pdbjplus/data/cc/svg/NLW.svg) | NLW | Name: | L-leucinamide | Formula: | C6 H14 N2 O | SMILES: | CC(CC(C(N)=O)N)C | InChi: | InChI=1S/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1 | Definition date: | 2016-03-22 | Last modified: | 2021-08-21 | Release date: | 2016-08-03 | Identifier: | L-leucinamide |
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![2IO 2IO](https://data.pdbj.org/pdbjplus/data/cc/svg/2IO.svg) | 2IO | Name: | (3S,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione | Formula: | C12 H22 N2 O2 | SMILES: | CC(C)C[CH]1NC(=O)[CH](CC(C)C)NC1=O | InChi: | InChI=1S/C12H22N2O2/c1-7(2)5-9-11(15)14-10(6-8(3)4)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t9-,10-/m0/s1 | Synonyms: | cyclo(L-Leu-L-Leu) | Definition date: | 2021-06-17 | Last modified: | 2021-08-20 | Release date: | 2021-08-25 | Identifier: | (3~{S},6~{S})-3,6-bis(2-methylpropyl)piperazine-2,5-dione |
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![ZOA ZOA](https://data.pdbj.org/pdbjplus/data/cc/svg/ZOA.svg) | ZOA | Name: | ethyl (8R)-7-methyl-3-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)pyrazolo[1,5-a]pyrimidine-6-carboxylate | Formula: | C18 H20 N6 O4 S2 | SMILES: | NS(=O)(=O)c1ccc(cc1)CNC(=S)Nc1cnn2c(C)c(cnc12)C(=O)OCC | InChi: | InChI=1S/C18H20N6O4S2/c1-3-28-17(25)14-9-20-16-15(10-22-24(16)11(14)2)23-18(29)21-8-12-4-6-13(7-5-12)30(19,26)27/h4-7,9-10H,3,8H2,1-2H3,(H2,19,26,27)(H2,21,23,29) | Definition date: | 2021-05-14 | Last modified: | 2021-08-20 | Release date: | 2021-08-25 | Identifier: | ethyl (8R)-7-methyl-3-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)pyrazolo[1,5-a]pyrimidine-6-carboxylate |
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![H0R H0R](https://data.pdbj.org/pdbjplus/data/cc/svg/H0R.svg) | H0R | Name: | (2S)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one | Formula: | C24 H27 F2 N O3 | SMILES: | COc1cc2C[CH](CC3(F)CCN(CC3)Cc4ccccc4F)C(=O)c2cc1OC | InChi: | InChI=1S/C24H27F2NO3/c1-29-21-12-17-11-18(23(28)19(17)13-22(21)30-2)14-24(26)7-9-27(10-8-24)15-16-5-3-4-6-20(16)25/h3-6,12-13,18H,7-11,14-15H2,1-2H3/t18-/m0/s1 | Definition date: | 2020-10-20 | Last modified: | 2021-08-20 | Release date: | 2021-08-25 | Identifier: | (2~{S})-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one |
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![H1R H1R](https://data.pdbj.org/pdbjplus/data/cc/svg/H1R.svg) | H1R | Name: | (2S)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one | Formula: | C24 H27 F2 N O3 | SMILES: | COc1cc2C[CH](CC3(F)CCN(CC3)Cc4cccc(F)c4)C(=O)c2cc1OC | InChi: | InChI=1S/C24H27F2NO3/c1-29-21-12-17-11-18(23(28)20(17)13-22(21)30-2)14-24(26)6-8-27(9-7-24)15-16-4-3-5-19(25)10-16/h3-5,10,12-13,18H,6-9,11,14-15H2,1-2H3/t18-/m0/s1 | Definition date: | 2020-10-20 | Last modified: | 2021-08-20 | Release date: | 2021-08-25 | Identifier: | (2~{S})-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one |
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![GN9 GN9](https://data.pdbj.org/pdbjplus/data/cc/svg/GN9.svg) | GN9 | Name: | gallinamide A, bound form | Formula: | C31 H54 N4 O7 | SMILES: | C(C)C(C)C(C(OC(C(=O)NC(C(=O)NC(CCC(=O)N1C(=O)C=C(OC)C1C)C)CC(C)C)CC(C)C)=O)N(C)C | InChi: | InChI=1S/C31H54N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h17-23,25,28H,12-16H2,1-11H3,(H,32,38)(H,33,39)/t20-,21-,22-,23-,25-,28-/m0/s1 | Synonyms: | (2S)-1-{[(2S)-1-({(2S)-5-[(2S)-3-methoxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-5-oxopentan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]amino}-4-methyl-1-oxopentan-2-yl N,N-dimethyl-L-isoleucinate | Definition date: | 2020-08-30 | Last modified: | 2021-08-20 | Release date: | 2021-08-25 | Identifier: | (2S)-1-{[(2S)-1-({(2S)-5-[(2S)-3-methoxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-5-oxopentan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]amino}-4-methyl-1-oxopentan-2-yl N,N-dimethyl-L-isoleucinate |
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