![ZJB ZJB](https://data.pdbj.org/pdbjplus/data/cc/svg/ZJB.svg) | ZJB | Name: | (2R,3R,4S,5R)-2-(3-AMINO-5-METHYL-1,4,5,6,8-PENTAAZAACENAPHTHYLEN-1(5H)-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL | Formula: | C13 H16 N6 O4 | SMILES: | CN1N=C(N)c2cn([CH]3O[CH](CO)[CH](O)[CH]3O)c4ncnc1c24 | InChi: | InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8-,9-,13-/m1/s1 | Definition date: | 2015-09-22 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 |
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![JG8 JG8](https://data.pdbj.org/pdbjplus/data/cc/svg/JG8.svg) | JG8 | Name: | BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE | Formula: | C10 H6 N2 O2 | SMILES: | O=C1NC=Nc2c1oc3ccccc23 | InChi: | InChI=1S/C10H6N2O2/c13-10-9-8(11-5-12-10)6-3-1-2-4-7(6)14-9/h1-5H,(H,11,12,13) | Definition date: | 2015-09-22 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | 3H-[1]benzofuro[3,2-d]pyrimidin-4-one |
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![UX0 UX0](https://data.pdbj.org/pdbjplus/data/cc/svg/UX0.svg) | UX0 | Name: | (1S,2R,3R,5R)-3-(HYDROXYMETHYL)-5-((5-METHOXYQUINAZOLIN-4-YL)AMINO)CYCLOPENTANE-1,2-DIOL | Formula: | C15 H19 N3 O4 | SMILES: | COc1cccc2ncnc(N[CH]3C[CH](CO)[CH](O)[CH]3O)c12 | InChi: | InChI=1S/C15H19N3O4/c1-22-11-4-2-3-9-12(11)15(17-7-16-9)18-10-5-8(6-19)13(20)14(10)21/h2-4,7-8,10,13-14,19-21H,5-6H2,1H3,(H,16,17,18)/t8-,10-,13-,14+/m1/s1 | Definition date: | 2015-09-22 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[(5-methoxyquinazolin-4-yl)amino]cyclopentane-1,2-diol |
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![75J 75J](https://data.pdbj.org/pdbjplus/data/cc/svg/75J.svg) | 75J | Name: | 2-({2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5H-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile | Formula: | C24 H24 N8 O | SMILES: | c1cc(c(cc1)CN2C(c4c(n3ccnc23)nc(n4CC#CC)N5CC(CCC5)N)=O)C#N | InChi: | InChI=1S/C24H24N8O/c1-2-3-12-30-20-21(28-24(30)29-11-6-9-19(26)16-29)31-13-10-27-23(31)32(22(20)33)15-18-8-5-4-7-17(18)14-25/h4-5,7-8,10,13,19H,6,9,11-12,15-16,26H2,1H3/t19-/m1/s1 | Definition date: | 2016-08-30 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | 2-({2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5H-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile |
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![75L 75L](https://data.pdbj.org/pdbjplus/data/cc/svg/75L.svg) | 75L | Name: | 2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-6-[(4-methylquinazolin-2-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-b]purin-4(3H)-one | Formula: | C27 H31 N9 O | SMILES: | C=21N(CCCN1c3c(C(N=2)=O)n(CC#CC)c(n3)N4CC(CCC4)N)Cc5nc6c(c(n5)C)cccc6 | InChi: | InChI=1S/C27H31N9O/c1-3-4-14-35-23-24(31-26(35)33-12-7-9-19(28)16-33)36-15-8-13-34(27(36)32-25(23)37)17-22-29-18(2)20-10-5-6-11-21(20)30-22/h5-6,10-11,19H,7-9,12-17,28H2,1-2H3/t19-/m1/s1 | Definition date: | 2016-08-30 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | 2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-6-[(4-methylquinazolin-2-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-b]purin-4(3H)-one |
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![75M 75M](https://data.pdbj.org/pdbjplus/data/cc/svg/75M.svg) | 75M | Name: | 4-({2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5H-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile | Formula: | C24 H24 N8 O | SMILES: | c12n5ccnc5N(C(c1n(c(n2)N3CC(CCC3)N)CC#CC)=O)Cc4ccc(C#N)cc4 | InChi: | InChI=1S/C24H24N8O/c1-2-3-12-30-20-21(28-24(30)29-11-4-5-19(26)16-29)31-13-10-27-23(31)32(22(20)33)15-18-8-6-17(14-25)7-9-18/h6-10,13,19H,4-5,11-12,15-16,26H2,1H3/t19-/m1/s1 | Definition date: | 2016-08-30 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | 4-({2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5H-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile |
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![75N 75N](https://data.pdbj.org/pdbjplus/data/cc/svg/75N.svg) | 75N | Name: | 2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-5-[(4-methylquinazolin-2-yl)methyl]-3H-imidazo[2,1-b]purin-4(5H)-one | Formula: | C26 H27 N9 O | SMILES: | C(#CCn5c2c(n1c(ncc1)N(C2=O)Cc4nc(c3ccccc3n4)C)nc5N6CCCC(C6)N)C | InChi: | InChI=1S/C26H27N9O/c1-3-4-13-33-22-23(31-26(33)32-12-7-8-18(27)15-32)34-14-11-28-25(34)35(24(22)36)16-21-29-17(2)19-9-5-6-10-20(19)30-21/h5-6,9-11,14,18H,7-8,12-13,15-16,27H2,1-2H3/t18-/m1/s1 | Definition date: | 2016-08-30 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | 2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-5-[(4-methylquinazolin-2-yl)methyl]-3H-imidazo[2,1-b]purin-4(5H)-one |
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![76H 76H](https://data.pdbj.org/pdbjplus/data/cc/svg/76H.svg) | 76H | Name: | [(2~{S},5~{R})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-propyl-azanium | Formula: | C18 H31 N7 O5 | SMILES: | CCC[NH2+][CH](CC[CH]([NH3+])C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C18H29N7O5/c1-2-5-21-9(3-4-10(19)18(28)29)6-11-13(26)14(27)17(30-11)25-8-24-12-15(20)22-7-23-16(12)25/h7-11,13-14,17,21,26-27H,2-6,19H2,1H3,(H,28,29)(H2,20,22,23)/p+2/t9-,10+,11+,13+,14+,17+/m0/s1 | Definition date: | 2016-09-05 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | [(2~{S},5~{R})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-propyl-azanium |
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![76J 76J](https://data.pdbj.org/pdbjplus/data/cc/svg/76J.svg) | 76J | Name: | [(2~{S},5~{S})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-pentyl-azanium | Formula: | C20 H35 N7 O5 | SMILES: | CCCCC[NH2+][CH](CC[CH]([NH3+])C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C20H33N7O5/c1-2-3-4-7-23-11(5-6-12(21)20(30)31)8-13-15(28)16(29)19(32-13)27-10-26-14-17(22)24-9-25-18(14)27/h9-13,15-16,19,23,28-29H,2-8,21H2,1H3,(H,30,31)(H2,22,24,25)/p+2/t11-,12-,13+,15+,16+,19+/m0/s1 | Definition date: | 2016-09-06 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | [(2~{S},5~{S})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-pentyl-azanium |
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![76K 76K](https://data.pdbj.org/pdbjplus/data/cc/svg/76K.svg) | 76K | Name: | [(2~{S},5~{R})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(3-oxidanylpropyl)azanium | Formula: | C18 H31 N7 O6 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](C[CH](CC[CH]([NH3+])C(O)=O)[NH2+]CCCO)[CH](O)[CH]3O | InChi: | InChI=1S/C18H29N7O6/c19-10(18(29)30)3-2-9(21-4-1-5-26)6-11-13(27)14(28)17(31-11)25-8-24-12-15(20)22-7-23-16(12)25/h7-11,13-14,17,21,26-28H,1-6,19H2,(H,29,30)(H2,20,22,23)/p+2/t9-,10+,11+,13+,14+,17+/m0/s1 | Definition date: | 2016-09-06 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | [(2~{S},5~{R})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(3-oxidanylpropyl)azanium |
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![76O 76O](https://data.pdbj.org/pdbjplus/data/cc/svg/76O.svg) | 76O | Name: | [(2~{R},5~{S})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(phenylmethyl)azanium | Formula: | C22 H31 N7 O5 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](C[CH](CC[CH]([NH3+])C(O)=O)[NH2+]Cc4ccccc4)[CH](O)[CH]3O | InChi: | InChI=1S/C22H29N7O5/c23-14(22(32)33)7-6-13(25-9-12-4-2-1-3-5-12)8-15-17(30)18(31)21(34-15)29-11-28-16-19(24)26-10-27-20(16)29/h1-5,10-11,13-15,17-18,21,25,30-31H,6-9,23H2,(H,32,33)(H2,24,26,27)/p+2/t13-,14+,15-,17-,18-,21-/m1/s1 | Definition date: | 2016-09-06 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | [(2~{R},5~{S})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(phenylmethyl)azanium |
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![7AR 7AR](https://data.pdbj.org/pdbjplus/data/cc/svg/7AR.svg) | 7AR | Name: | (2R)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid | Formula: | C17 H11 Cl2 N O4 | SMILES: | c3cccc(CC(N2C(c1c(cc(c(Cl)c1)Cl)C2=O)=O)C(=O)O)c3 | InChi: | InChI=1S/C17H11Cl2NO4/c18-12-7-10-11(8-13(12)19)16(22)20(15(10)21)14(17(23)24)6-9-4-2-1-3-5-9/h1-5,7-8,14H,6H2,(H,23,24)/t14-/m1/s1 | Definition date: | 2016-09-26 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | (2R)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid |
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![KC7 KC7](https://data.pdbj.org/pdbjplus/data/cc/svg/KC7.svg) | KC7 | Name: | (1R,2S,3R,5R)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol | Formula: | C21 H23 N3 O4 | SMILES: | OC[CH]1C[CH](Nc2ncnc3cccc(OCc4ccccc4)c23)[CH](O)[CH]1O | InChi: | InChI=1S/C21H23N3O4/c25-10-14-9-16(20(27)19(14)26)24-21-18-15(22-12-23-21)7-4-8-17(18)28-11-13-5-2-1-3-6-13/h1-8,12,14,16,19-20,25-27H,9-11H2,(H,22,23,24)/t14-,16-,19-,20+/m1/s1 | Definition date: | 2015-09-22 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[(5-phenylmethoxyquinazolin-4-yl)amino]cyclopentane-1,2-diol |
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![MBL MBL](https://data.pdbj.org/pdbjplus/data/cc/svg/MBL.svg) | MBL | Name: | 1-pentyl-4-phenyl-imidazol-2-amine | Formula: | C14 H19 N3 | SMILES: | CCCCCn1cc(nc1N)c2ccccc2 | InChi: | InChI=1S/C14H19N3/c1-2-3-7-10-17-11-13(16-14(17)15)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H2,15,16) | Definition date: | 2015-09-29 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | 1-pentyl-4-phenyl-imidazol-2-amine |
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![7OX 7OX](https://data.pdbj.org/pdbjplus/data/cc/svg/7OX.svg) | 7OX | Name: | 7-oxo-simocyclinone D8 | Formula: | C46 H40 Cl N O18 | SMILES: | C[CH]1O[CH](C[CH](OC(=O)C=CC=CC=CC=CC(=O)NC2=C(O)c3ccc(O)c(Cl)c3OC2=O)[CH]1OC(C)=O)c4ccc5C(=O)[C]67O[C]6([CH](O)C[C]8(O)CC(=CC(=O)[C]78O)C)C(=O)c5c4O | InChi: | InChI=1S/C46H40ClNO18/c1-20-16-29(51)45(61)43(60,18-20)19-30(52)44-41(58)33-24(40(57)46(44,45)66-44)13-12-23(36(33)55)27-17-28(38(21(2)62-27)63-22(3)49)64-32(54)11-9-7-5-4-6-8-10-31(53)48-35-37(56)25-14-15-26(50)34(47)39(25)65-42(35)59/h4-16,21,27-28,30,38,50,52,55-56,60-61H,17-19H2,1-3H3,(H,48,53)/b6-4-,7-5+,10-8?,11-9+/t21-,27-,28-,30+,38-,43-,44+,45-,46-/m1/s1 | Definition date: | 2016-05-27 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 |
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![N8Y N8Y](https://data.pdbj.org/pdbjplus/data/cc/svg/N8Y.svg) | N8Y | Name: | 6-methoxyquinazolin-4-amine | Formula: | C9 H9 N3 O | SMILES: | COc1ccc2ncnc(N)c2c1 | InChi: | InChI=1S/C9H9N3O/c1-13-6-2-3-8-7(4-6)9(10)12-5-11-8/h2-5H,1H3,(H2,10,11,12) | Definition date: | 2015-09-23 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | 6-methoxyquinazolin-4-amine |
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![NZN NZN](https://data.pdbj.org/pdbjplus/data/cc/svg/NZN.svg) | NZN | Name: | N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-butanamide | Formula: | C16 H26 N4 O3 | SMILES: | O=C(NCC)CCC(NC=1N(NC(C=1)=O)C2CCCCCC2)=O | InChi: | InChI=1S/C16H26N4O3/c1-2-17-14(21)9-10-15(22)18-13-11-16(23)19-20(13)12-7-5-3-4-6-8-12/h11-12H,2-10H2,1H3,(H,17,21)(H,18,22)(H,19,23) | Definition date: | 2016-03-24 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | N~1~-(2-cycloheptyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl)-N~4~-ethylbutanediamide |
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![5D6 5D6](https://data.pdbj.org/pdbjplus/data/cc/svg/5D6.svg) | 5D6 | Name: | orthoformimycin | Formula: | C25 H37 N3 O10 | SMILES: | O1C(OC3C1C(C(C(NC(=O)C(=[C@H]c2ccc(cc2)N(C)C)C)C3N(C)C)O)O)OC(C(O)CO)C(=O)O | InChi: | InChI=1S/C25H37N3O10/c1-12(10-13-6-8-14(9-7-13)27(2)3)23(33)26-16-17(28(4)5)21-22(19(32)18(16)31)38-25(37-21)36-20(24(34)35)15(30)11-29/h6-10,15-22,25,29-32H,11H2,1-5H3,(H,26,33)(H,34,35)/b12-10+/t15-,16-,17+,18-,19+,20-,21-,22+,25+/m0/s1 | Definition date: | 2015-09-08 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | (2S,3S)-2-{[(2R,3aS,4R,5S,6S,7R,7aR)-4-(dimethylamino)-5-({(2E)-3-[4-(dimethylamino)phenyl]-2-methylprop-2-enoyl}amino)-6,7-dihydroxyhexahydro-1,3-benzodioxol-2-yl]oxy}-3,4-dihydroxybutanoic acid |
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![5H6 5H6](https://data.pdbj.org/pdbjplus/data/cc/svg/5H6.svg) | 5H6 | Name: | 5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid | Formula: | C8 H4 Cl N O3 S | SMILES: | c2c(c1cc(C(O)=O)no1)sc(c2)Cl | InChi: | InChI=1S/C8H4ClNO3S/c9-7-2-1-6(14-7)5-3-4(8(11)12)10-13-5/h1-3H,(H,11,12) | Definition date: | 2015-09-24 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | 5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid |
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![5HB 5HB](https://data.pdbj.org/pdbjplus/data/cc/svg/5HB.svg) | 5HB | Name: | N-{[(3R)-1-benzylpiperidin-3-yl]methyl}-N-methylnaphthalene-2-sulfonamide | Formula: | C24 H28 N2 O2 S | SMILES: | C4N(Cc1ccccc1)CC(CN(C)S(=O)(=O)c3ccc2c(cccc2)c3)CC4 | InChi: | InChI=1S/C24H28N2O2S/c1-25(29(27,28)24-14-13-22-11-5-6-12-23(22)16-24)17-21-10-7-15-26(19-21)18-20-8-3-2-4-9-20/h2-6,8-9,11-14,16,21H,7,10,15,17-19H2,1H3/t21-/m0/s1 | Definition date: | 2015-09-25 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | N-{[(3R)-1-benzylpiperidin-3-yl]methyl}-N-methylnaphthalene-2-sulfonamide |
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![BBW BBW](https://data.pdbj.org/pdbjplus/data/cc/svg/BBW.svg) | BBW | Name: | 7-methylquinazolin-4-amine | Formula: | C9 H9 N3 | SMILES: | Cc1ccc2c(N)ncnc2c1 | InChi: | InChI=1S/C9H9N3/c1-6-2-3-7-8(4-6)11-5-12-9(7)10/h2-5H,1H3,(H2,10,11,12) | Definition date: | 2015-09-23 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | 7-methylquinazolin-4-amine |
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![4QG 4QG](https://data.pdbj.org/pdbjplus/data/cc/svg/4QG.svg) | 4QG | Name: | 4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzamide | Formula: | C16 H11 Cl N2 O2 | SMILES: | c2(cnc(c1ccc(cc1)C(N)=O)o2)c3ccc(cc3)Cl | InChi: | InChI=1S/C16H11ClN2O2/c17-13-7-5-10(6-8-13)14-9-19-16(21-14)12-3-1-11(2-4-12)15(18)20/h1-9H,(H2,18,20) | Definition date: | 2015-05-08 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | 4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzamide |
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![6B7 6B7](https://data.pdbj.org/pdbjplus/data/cc/svg/6B7.svg) | 6B7 | Name: | (2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid | Formula: | C15 H23 N O6 S | SMILES: | CCCOC(=O)CS[CH]1[CH](C)C(=N[CH]1C(O)=O)[CH](C=O)[CH](C)O | InChi: | InChI=1S/C15H23NO6S/c1-4-5-22-11(19)7-23-14-8(2)12(10(6-17)9(3)18)16-13(14)15(20)21/h6,8-10,13-14,18H,4-5,7H2,1-3H3,(H,20,21)/t8-,9-,10-,13+,14-/m1/s1 | Definition date: | 2016-03-01 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | (2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid |
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![6BW 6BW](https://data.pdbj.org/pdbjplus/data/cc/svg/6BW.svg) | 6BW | Name: | (2R,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene | Formula: | C15 H24 | SMILES: | C1C=C(C)C2(C(C1)C)CC(C(=C)C)CC2 | InChi: | InChI=1S/C15H24/c1-11(2)14-8-9-15(10-14)12(3)6-5-7-13(15)4/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15-/m1/s1 | Definition date: | 2016-03-04 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | (2R,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene |
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![6CJ 6CJ](https://data.pdbj.org/pdbjplus/data/cc/svg/6CJ.svg) | 6CJ | Name: | N-[8-(cyclohexyloxy)-1-oxo-2-phenyl-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonyl]-L-tyrosine | Formula: | C33 H30 N2 O6 S | SMILES: | O(C1CCCCC1)c6ccc5SC=3N(C(=O)C(c2ccccc2)=CC=3C(=O)NC(C(O)=O)Cc4ccc(O)cc4)c5c6 | InChi: | InChI=1S/C33H30N2O6S/c36-22-13-11-20(12-14-22)17-27(33(39)40)34-30(37)26-19-25(21-7-3-1-4-8-21)31(38)35-28-18-24(15-16-29(28)42-32(26)35)41-23-9-5-2-6-10-23/h1,3-4,7-8,11-16,18-19,23,27,36H,2,5-6,9-10,17H2,(H,34,37)(H,39,40)/t27-/m0/s1 | Definition date: | 2016-03-11 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | N-[8-(cyclohexyloxy)-1-oxo-2-phenyl-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonyl]-L-tyrosine |
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