![KHN KHN](https://data.pdbj.org/pdbjplus/data/cc/svg/KHN.svg) | KHN | Name: | Ruthenium (bis-(phenanthroline)) (10-nitro-dipyridophenazine) | Formula: | C42 H26 N9 O2 Ru | SMILES: | [Ru].[OH-][N+](=O)c1cccc2nc3c4cccnc4c5ncccc5c3nc12.c6cnc7c(c6)ccc8cccnc78.c9cnc%10c(c9)ccc%11cccnc%10%11 | InChi: | InChI=1S/C18H10N5O2.2C12H8N2.Ru/c24-23(25)13-7-1-6-12-18(13)22-17-11-5-3-9-20-15(11)14-10(16(17)21-12)4-2-8-19-14 | Definition date: | 2019-05-22 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 |
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![NWE NWE](https://data.pdbj.org/pdbjplus/data/cc/svg/NWE.svg) | NWE | Name: | 2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid | Formula: | C24 H23 N O3 | SMILES: | OC(=O)Cc1ccccc1OCc2cccc(c2)c3ccc4CCNCc4c3 | InChi: | InChI=1S/C24H23NO3/c26-24(27)14-21-5-1-2-7-23(21)28-16-17-4-3-6-19(12-17)20-9-8-18-10-11-25-15-22(18)13-20/h1-9,12-13,25H,10-11,14-16H2,(H,26,27) | Definition date: | 2019-12-20 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 | Identifier: | 2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid |
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![O1W O1W](https://data.pdbj.org/pdbjplus/data/cc/svg/O1W.svg) | O1W | Name: | 6-[1-[(2~{S})-1-methoxypropan-2-yl]-6-[(3~{S})-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine | Formula: | C24 H33 N9 O2 | SMILES: | COC[CH](C)n1c2cc(ncc2nc1c3cn4c(C)nnc4c(NC(C)C)n3)N5CCOC[CH]5C | InChi: | InChI=1S/C24H33N9O2/c1-14(2)26-22-24-30-29-17(5)32(24)11-19(27-22)23-28-18-10-25-21(31-7-8-35-13-15(31)3)9-20(18)33(23)16(4)12-34-6/h9-11,14-16H,7-8,12-13H2,1-6H3,(H,26,27)/t15-,16-/m0/s1 | Definition date: | 2020-01-21 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 | Identifier: | 6-[1-[(2~{S})-1-methoxypropan-2-yl]-6-[(3~{S})-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine |
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![O2B O2B](https://data.pdbj.org/pdbjplus/data/cc/svg/O2B.svg) | O2B | Name: | 3-methyl-6-[6-[(3~{S})-3-methylmorpholin-4-yl]-1-[(1~{S})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine | Formula: | C28 H33 N9 O | SMILES: | CC(C)Nc1nc(cn2c(C)nnc12)c3nc4cnc(cc4n3[CH](C)c5ccccc5)N6CCOC[CH]6C | InChi: | InChI=1S/C28H33N9O/c1-17(2)30-26-28-34-33-20(5)36(28)15-23(31-26)27-32-22-14-29-25(35-11-12-38-16-18(35)3)13-24(22)37(27)19(4)21-9-7-6-8-10-21/h6-10,13-15,17-19H,11-12,16H2,1-5H3,(H,30,31)/t18-,19-/m0/s1 | Definition date: | 2020-01-21 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 | Identifier: | 3-methyl-6-[6-[(3~{S})-3-methylmorpholin-4-yl]-1-[(1~{S})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine |
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![O32 O32](https://data.pdbj.org/pdbjplus/data/cc/svg/O32.svg) | O32 | Name: | (4~{R})-4-[(1~{R})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one | Formula: | C22 H21 N5 O2 | SMILES: | C[CH](Oc1cc(cc2ncccc12)c3ccc4nnc(C)n4c3)[CH]5CNC(=O)C5 | InChi: | InChI=1S/C22H21N5O2/c1-13(17-10-22(28)24-11-17)29-20-9-16(8-19-18(20)4-3-7-23-19)15-5-6-21-26-25-14(2)27(21)12-15/h3-9,12-13,17H,10-11H2,1-2H3,(H,24,28)/t13-,17-/m1/s1 | Definition date: | 2020-01-21 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 | Identifier: | (4~{R})-4-[(1~{R})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one |
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![33C 33C](https://data.pdbj.org/pdbjplus/data/cc/svg/33C.svg) | 33C | Name: | 4-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide | Formula: | C25 H21 N3 O3 | SMILES: | O=C(Nc2c1ncccc1ccc2)c3ccc(cc3)N5C(=O)C6C4CC(CC4)C6C5=O | InChi: | InChI=1S/C25H21N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-5,8-12,16-17,20-21H,6-7,13H2,(H,27,29)/t16-,17+,20-,21+ | Definition date: | 2014-06-06 | Last modified: | 2020-06-27 | Release date: | 2014-11-05 | Identifier: | 4-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide |
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![5LQ 5LQ](https://data.pdbj.org/pdbjplus/data/cc/svg/5LQ.svg) | 5LQ | Name: | 5-(3-chlorophenyl)-4-methyl-~{N}-(3-morpholin-4-ylpropyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine | Formula: | C17 H22 Cl N3 O3 S | SMILES: | CC1=C(c2cccc(Cl)c2)[S](=O)(=O)N=C1NCCCN3CCOCC3 | InChi: | InChI=1S/C17H22ClN3O3S/c1-13-16(14-4-2-5-15(18)12-14)25(22,23)20-17(13)19-6-3-7-21-8-10-24-11-9-21/h2,4-5,12H,3,6-11H2,1H3,(H,19,20) | Definition date: | 2015-10-20 | Last modified: | 2020-06-27 | Release date: | 2016-03-30 | Identifier: | 5-(3-chlorophenyl)-4-methyl-~{N}-(3-morpholin-4-ylpropyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine |
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![3KW 3KW](https://data.pdbj.org/pdbjplus/data/cc/svg/3KW.svg) | 3KW | Name: | (2E,5R)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one | Formula: | C28 H39 N5 O | SMILES: | O=C1N(C(=[N@H])NC1(CC4CCCC(Nc2nc3c(cc2)cccc3)C4)CCC5CCCCC5)C | InChi: | InChI=1S/C28H39N5O/c1-33-26(34)28(32-27(33)29,17-16-20-8-3-2-4-9-20)19-21-10-7-12-23(18-21)30-25-15-14-22-11-5-6-13-24(22)31-25/h5-6,11,13-15,20-21,23H,2-4,7-10,12,16-19H2,1H3,(H2,29,32)(H,30,31)/t21-,23+,28+/m0/s1 | Definition date: | 2014-09-08 | Last modified: | 2020-06-27 | Release date: | 2014-11-05 | Identifier: | (2E,5R)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one |
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![S07 S07](https://data.pdbj.org/pdbjplus/data/cc/svg/S07.svg) | S07 | Name: | 2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone | Formula: | C14 H19 N O3 | SMILES: | Cc1ccc(OCC(=O)N2CCOCC2)c(C)c1 | InChi: | InChI=1S/C14H19NO3/c1-11-3-4-13(12(2)9-11)18-10-14(16)15-5-7-17-8-6-15/h3-4,9H,5-8,10H2,1-2H3 | Definition date: | 2020-03-03 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | 2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone |
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![S2Y S2Y](https://data.pdbj.org/pdbjplus/data/cc/svg/S2Y.svg) | S2Y | Name: | ~{N}-[(4-fluorophenyl)methyl]-4-methoxy-aniline | Formula: | C14 H14 F N O | SMILES: | COc1ccc(NCc2ccc(F)cc2)cc1 | InChi: | InChI=1S/C14H14FNO/c1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3 | Definition date: | 2020-03-03 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | ~{N}-[(4-fluorophenyl)methyl]-4-methoxy-aniline |
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![V3J V3J](https://data.pdbj.org/pdbjplus/data/cc/svg/V3J.svg) | V3J | Name: | (4,7-dihydro-2H-1lambda~4~,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone | Formula: | C11 H11 N3 O2 S | SMILES: | C3N(C(c2ccc1c(nns1)c2)=O)CCOC3 | InChi: | InChI=1S/C11H11N3O2S/c15-11(14-3-5-16-6-4-14)8-1-2-10-9(7-8)12-13-17-10/h1-2,7H,3-6H2 | Definition date: | 2020-06-19 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | (1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone |
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![U6D U6D](https://data.pdbj.org/pdbjplus/data/cc/svg/U6D.svg) | U6D | Name: | (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline | Formula: | C28 H33 F4 N3 O | SMILES: | C5c1c(nc2c1cccc2)C(c4c(cc(OCCN3CC(CF)C3)cc4F)F)N(CC(F)(C)C)C5C | InChi: | InChI=1S/C28H33F4N3O/c1-17-10-21-20-6-4-5-7-24(20)33-26(21)27(35(17)16-28(2,3)32)25-22(30)11-19(12-23(25)31)36-9-8-34-14-18(13-29)15-34/h4-7,11-12,17-18,27,33H,8-10,13-16H2,1-3H3/t17-,27-/m1/s1 | Definition date: | 2020-04-27 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline |
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![D6F D6F](https://data.pdbj.org/pdbjplus/data/cc/svg/D6F.svg) | D6F | Name: | 4,4',4''-(nitrilotris(benzene-4,1-diyl))tris(1-ethylpyridin-1-ium) iodide | Formula: | C39 H39 N4 | SMILES: | CC[n+]1ccc(cc1)c2ccc(cc2)N(c3ccc(cc3)c4cc[n+](CC)cc4)c5ccc(cc5)c6cc[n+](CC)cc6 | InChi: | InChI=1S/C39H39N4/c1-4-40-25-19-34(20-26-40)31-7-13-37(14-8-31)43(38-15-9-32(10-16-38)35-21-27-41(5-2)28-22-35)39-17-11-33(12-18-39)36-23-29-42(6-3)30-24-36/h7-30H,4-6H2,1-3H3/q+3 | Synonyms: | 4-(1-ethylpyridin-1-ium-4-yl)-N,N-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]aniline | Definition date: | 2019-07-11 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | 4-(1-ethylpyridin-1-ium-4-yl)-~{N},~{N}-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]aniline |
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![D4R D4R](https://data.pdbj.org/pdbjplus/data/cc/svg/D4R.svg) | D4R | Name: | (4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline | Formula: | C19 H21 N O3 | SMILES: | COC1=CC=C2[CH]3Cc4ccc(OC)c5O[CH]1[C]2(CCN3C)c45 | InChi: | InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1 | Synonyms: | Thebaine | Definition date: | 2019-06-27 | Last modified: | 2020-06-19 | Release date: | 2020-06-24 | Identifier: | (4~{R},7~{a}~{R},12~{b}~{S})-7,9-dimethoxy-3-methyl-2,4,7~{a},13-tetrahydro-1~{H}-4,12-methanobenzofuro[3,2-e]isoquinoline |
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![EQL EQL](https://data.pdbj.org/pdbjplus/data/cc/svg/EQL.svg) | EQL | Name: | 1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid | Formula: | C14 H7 N O6 | SMILES: | OC(=O)c1ccc2C(=O)NC(=O)c3ccc(C(O)=O)c1c23 | InChi: | InChI=1S/C14H7NO6/c16-11-5-1-3-7(13(18)19)10-8(14(20)21)4-2-6(9(5)10)12(17)15-11/h1-4H,(H,18,19)(H,20,21)(H,15,16,17) | Definition date: | 2020-01-21 | Last modified: | 2020-06-19 | Release date: | 2020-06-24 | Identifier: | 1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid |
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![EQX EQX](https://data.pdbj.org/pdbjplus/data/cc/svg/EQX.svg) | EQX | Name: | 4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid | Formula: | C14 H14 N6 O3 | SMILES: | Cc1nn2c(NNC(=O)CCC(O)=O)nc3ccccc3c2n1 | InChi: | InChI=1S/C14H14N6O3/c1-8-15-13-9-4-2-3-5-10(9)16-14(20(13)19-8)18-17-11(21)6-7-12(22)23/h2-5H,6-7H2,1H3,(H,16,18)(H,17,21)(H,22,23) | Definition date: | 2020-01-21 | Last modified: | 2020-06-19 | Release date: | 2020-06-24 | Identifier: | 4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid |
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![ER6 ER6](https://data.pdbj.org/pdbjplus/data/cc/svg/ER6.svg) | ER6 | Name: | (3R)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid | Formula: | C17 H17 N3 O2 | SMILES: | OC(=O)[CH]1CCCN(C1)c2nc3ccccc3n4cccc24 | InChi: | InChI=1S/C17H17N3O2/c21-17(22)12-5-3-9-19(11-12)16-15-8-4-10-20(15)14-7-2-1-6-13(14)18-16/h1-2,4,6-8,10,12H,3,5,9,11H2,(H,21,22)/t12-/m1/s1 | Definition date: | 2020-01-21 | Last modified: | 2020-06-19 | Release date: | 2020-06-24 | Identifier: | (3~{R})-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid |
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![X3J X3J](https://data.pdbj.org/pdbjplus/data/cc/svg/X3J.svg) | X3J | Name: | (2S)-2-{2-[(2-AMINOETHYL)AMINO]-2-OXOETHYL}-2-HYDROXYBUTANEDIOIC ACID | Formula: | C8 H14 N2 O6 | SMILES: | O=C(O)CC(O)(C(=O)O)CC(=O)NCCN | InChi: | InChI=1S/C8H14N2O6/c9-1-2-10-5(11)3-8(16,7(14)15)4-6(12)13/h16H,1-4,9H2,(H,10,11)(H,12,13)(H,14,15)/t8-/m0/s1 | Synonyms: | 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE | Definition date: | 2010-01-25 | Last modified: | 2020-06-17 | Identifier: | (2S)-2-{2-[(2-aminoethyl)amino]-2-oxoethyl}-2-hydroxybutanedioic acid |
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![S06 S06](https://data.pdbj.org/pdbjplus/data/cc/svg/S06.svg) | S06 | Name: | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol | Formula: | C18 H21 N O6 | SMILES: | O1C(C(O)C(O)C(O)C14ONC(c3cc2ccccc2cc3)C4)CO | InChi: | InChI=1S/C18H21NO6/c20-9-14-15(21)16(22)17(23)18(24-14)8-13(19-25-18)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-17,19-23H,8-9H2/t13-,14+,15+,16-,17+,18+/m0/s1 | Synonyms: | (1R)-3'-(2-naphthyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline] | Definition date: | 2007-09-04 | Last modified: | 2020-06-17 | Identifier: | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-naphthalen-2-yl-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol |
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![WPP WPP](https://data.pdbj.org/pdbjplus/data/cc/svg/WPP.svg) | WPP | Name: | Piperacillin | Formula: | C23 H27 N5 O7 S | SMILES: | O=C1C(=O)N(CC)CCN1C(=O)NC(c2ccccc2)C(=O)NC4C(=O)N3C(C(=O)O)C(SC34)(C)C | InChi: | InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1 | Synonyms: | (2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thi
a-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | Definition date: | 2011-01-06 | Last modified: | 2020-06-17 | Identifier: | (2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
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![X6D X6D](https://data.pdbj.org/pdbjplus/data/cc/svg/X6D.svg) | X6D | Name: | 6-BROMO-7-[4-(4-CHLOROBENZYL)PIPERAZIN-1-YL]-2-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]-3H-IMIDAZO[4,5-B]PYRIDINE | Formula: | C28 H30 Br Cl N6 O | SMILES: | Clc1ccc(cc1)CN6CCN(c2c(Br)cnc3nc(nc23)c4ccc(cc4)CN5CCOCC5)CC6 | InChi: | InChI=1S/C28H30BrClN6O/c29-24-17-31-28-25(26(24)36-11-9-34(10-12-36)18-21-3-7-23(30)8-4-21)32-27(33-28)22-5-1-20(2-6-22)19-35-13-15-37-16-14-35/h1-8,17H,9-16,18-19H2,(H,31,32,33) | Synonyms: | CTT137444 | Definition date: | 2010-02-17 | Last modified: | 2020-06-17 | Identifier: | 6-bromo-7-[4-(4-chlorobenzyl)piperazin-1-yl]-2-[4-(morpholin-4-ylmethyl)phenyl]-3H-imidazo[4,5-b]pyridine |
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![HC7 HC7](https://data.pdbj.org/pdbjplus/data/cc/svg/HC7.svg) | HC7 | Name: | (2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium | Formula: | C24 H35 N2 O7 P | SMILES: | O=P(O)(O)OCC[N+](C)(C)CC(=O)c1ccc(cc1)c2ccc(cc2)C3(O)OCC[N+](C)(C)C3 | InChi: | InChI=1S/C24H33N2O7P/c1-25(2,14-16-33-34(29,30)31)17-23(27)21-7-5-19(6-8-21)20-9-11-22(12-10-20)24(28)18-26(3,4)13-15-32-24/h5-12,28H,13-18H2,1-4H3/p+2/t24-/m1/s1 | Synonyms: | 2-{4-[4-(2-{dimethyl[2-(phosphonatooxy)ethyl]azaniumyl}acetyl)phenyl]phenyl}-2-hydroxy-4,4-dimethylmorpholin-4-ium | Definition date: | 2008-12-04 | Last modified: | 2020-06-17 | Identifier: | (2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium |
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![VRB VRB](https://data.pdbj.org/pdbjplus/data/cc/svg/VRB.svg) | VRB | Name: | Phycoviolobilin, blue light-absorbing form | Formula: | C33 H42 N4 O6 | SMILES: | CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)CC)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C | InChi: | InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13,27,34-35H,7-12,14-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-/t27-/m1/s1 | Synonyms: | 3-[5-[(3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl)methyl]-2-[[5-[(Z)-(4-ethyl-3-methyl-5-oxidanylidene-pyr
rol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid | Definition date: | 2012-08-28 | Last modified: | 2020-06-17 | Identifier: | 3-[5-[(3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl)methyl]-2-[[5-[(Z)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
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![HCV HCV](https://data.pdbj.org/pdbjplus/data/cc/svg/HCV.svg) | HCV | Name: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine | Formula: | C15 H27 N3 O6 S | SMILES: | O=C(NC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)CCS | InChi: | InChI=1S/C15H27N3O6S/c1-8(2)12(15(23)24)18-13(20)10(6-7-25)17-11(19)5-3-4-9(16)14(21)22/h8-10,12,25H,3-7,16H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/t9-,10-,12+/m0/s1 | Synonyms: | Delta-L-alpha-aminoadipoyl-L-homocysteinyl-D-valine | Definition date: | 2013-01-24 | Last modified: | 2020-06-17 | Release date: | 2013-02-01 | Identifier: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine |
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![HFS HFS](https://data.pdbj.org/pdbjplus/data/cc/svg/HFS.svg) | HFS | Name: | 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE | Formula: | C14 H17 N3 O3 S | SMILES: | O=S(=O)(c2c1ccnc(O)c1ccc2)N3CCCNCC3 | InChi: | InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18) | Synonyms: | HYDROXYFASUDIL | Definition date: | 2005-10-26 | Last modified: | 2020-06-17 | Identifier: | 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-ol |
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