![ULP ULP](https://data.pdbj.org/pdbjplus/data/cc/svg/ULP.svg) | ULP | Name: | (2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) | Formula: | C25 H34 N5 O22 P3 | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC4OC(C(=O)O)C(O)C(/N=C/c3c(cnc(c3O)C)COP(=O)(O)O)C4NC(=O)C)O)O | InChi: | InChI=1S/C25H34N5O22P3/c1-9-17(33)12(11(5-26-9)7-47-53(40,41)42)6-27-15-16(28-10(2)31)24(50-21(19(15)35)23(37)38)51-55(45,46)52-54(43,44)48-8-13-18(34)20(36)22(49-13)30-4-3-14(32)29-25(30)39/h3-6,13,15-16,18-22,24,33-36H,7-8H2,1-2H3,(H,28,31)(H,37,38)(H,43,44)(H,45,46)(H,29,32,39)(H2,40,41,42)/b27-6+/t13-,15-,16-,18-,19+,20-,21+,22-,24-/m1/s1 | Definition date: | 2010-07-16 | Last modified: | 2011-06-04 | Identifier: | (2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) |
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![PBA PBA](https://data.pdbj.org/pdbjplus/data/cc/svg/PBA.svg) | PBA | Name: | PHENYLETHANE BORONIC ACID | Formula: | C8 H11 B O2 | SMILES: | OB(O)CCc1ccccc1 | InChi: | InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | (2-phenylethyl)boronic acid |
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![WTI WTI](https://data.pdbj.org/pdbjplus/data/cc/svg/WTI.svg) | WTI | Name: | 4-[2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)PYRIDIN-3-YL]BENZAMIDE | Formula: | C18 H15 N3 O3 S | SMILES: | O=C(N)c1ccc(cc1)c4cc(c2scc3OCCOc23)cnc4N | InChi: | InChI=1S/C18H15N3O3S/c19-17-13(10-1-3-11(4-2-10)18(20)22)7-12(8-21-17)16-15-14(9-25-16)23-5-6-24-15/h1-4,7-9H,5-6H2,(H2,19,21)(H2,20,22) | Definition date: | 2009-09-16 | Last modified: | 2011-06-04 | Identifier: | 4-[2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridin-3-yl]benzamide |
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![PBC PBC](https://data.pdbj.org/pdbjplus/data/cc/svg/PBC.svg) | PBC | Name: | PHENYL BORONIC ACID | Formula: | C6 H7 B O2 | SMILES: | OB(O)c1ccccc1 | InChi: | InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H | Definition date: | 2001-08-29 | Last modified: | 2011-06-04 | Identifier: | phenylboronic acid |
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![WTJ WTJ](https://data.pdbj.org/pdbjplus/data/cc/svg/WTJ.svg) | WTJ | Name: | 2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)-N-[2-(DIMETHYLAMINO)ETHYL]PYRIDINE-3-CARBOXAMIDE | Formula: | C16 H20 N4 O3 S | SMILES: | O=C(NCCN(C)C)c3cc(c1scc2OCCOc12)cnc3N | InChi: | InChI=1S/C16H20N4O3S/c1-20(2)4-3-18-16(21)11-7-10(8-19-15(11)17)14-13-12(9-24-14)22-5-6-23-13/h7-9H,3-6H2,1-2H3,(H2,17,19)(H,18,21) | Definition date: | 2009-09-16 | Last modified: | 2011-06-04 | Identifier: | 2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide |
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![TSI TSI](https://data.pdbj.org/pdbjplus/data/cc/svg/TSI.svg) | TSI | Name: | (2S,3R)-1-AMINO-2-METHYLBUTANE-2,3-DIOL | Formula: | C5 H13 N O2 | SMILES: | OC(C)C(O)(C)CN | InChi: | InChI=1S/C5H13NO2/c1-4(7)5(2,8)3-6/h4,7-8H,3,6H2,1-2H3/t4-,5+/m1/s1 | Definition date: | 2000-11-02 | Last modified: | 2011-06-04 | Identifier: | (2S,3R)-1-amino-2-methylbutane-2,3-diol |
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![S55 S55](https://data.pdbj.org/pdbjplus/data/cc/svg/S55.svg) | S55 | Name: | METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE | Formula: | C27 H36 N2 O9 | SMILES: | O=C(OC)C2=COC(OC1OC(C(O)C(O)C1O)CO)C(CC)C2CC5c4nc3ccccc3c4CCN5 | InChi: | InChI=1S/C27H36N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h4-7,12-13,16,19-20,22-24,26-33H,3,8-11H2,1-2H3/t13-,16+,19+,20-,22-,23+,24-,26+,27+/m1/s1 | Definition date: | 2007-01-26 | Last modified: | 2011-06-04 | Identifier: | methyl (2S,3R,4S)-3-ethyl-2-(beta-D-glucopyranosyloxy)-4-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylate |
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![0A2 0A2](https://data.pdbj.org/pdbjplus/data/cc/svg/0A2.svg) | 0A2 | Name: | [(1R)-1,5-diaminopentyl][bis(ethanolato)]hydroxyborate(1-) | Formula: | C9 H24 B N2 O3 | SMILES: | O[B-](OCC)(OCC)C(N)CCCCN | InChi: | InChI=1S/C9H24BN2O3/c1-3-14-10(13,15-4-2)9(12)7-5-6-8-11/h9,13H,3-8,11-12H2,1-2H3/q-1/t9-/m0/s1 | Definition date: | 2007-11-09 | Last modified: | 2011-06-04 | Identifier: | [(1R)-1,5-diaminopentyl][bis(ethanolato)]hydroxyborate(1-) |
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![VGC VGC](https://data.pdbj.org/pdbjplus/data/cc/svg/VGC.svg) | VGC | Name: | 6-CYCLOHEXYL-4-METHYL-5-PHENYL-4H-THIENO[3,2-B]PYRROLE-2-CARBOXYLIC ACID | Formula: | C20 H21 N O2 S | SMILES: | O=C(O)c1sc2c(c(n(c2c1)C)c3ccccc3)C4CCCCC4 | InChi: | InChI=1S/C20H21NO2S/c1-21-15-12-16(20(22)23)24-19(15)17(13-8-4-2-5-9-13)18(21)14-10-6-3-7-11-14/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,22,23) | Definition date: | 2009-03-17 | Last modified: | 2011-06-04 | Identifier: | 6-cyclohexyl-4-methyl-5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid |
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![OI1 OI1](https://data.pdbj.org/pdbjplus/data/cc/svg/OI1.svg) | OI1 | Name: | 3-(4-HYDROXYBENZYL)-2-[1-({[2-(4-HYDROXYPHENYL)ETHYL]AMINO}CARBONYL)BUTYL]-4-OXO-3,6,11,11A-TETRAHYDRO-4H-PYRAZINO[1,2-B]ISOQUINOLIN-2-IUM-1-OLATE | Formula: | C32 H35 N3 O5 | SMILES: | O=C(NCCc1ccc(O)cc1)C([N+]2=C([O-])C5N(C(=O)C2Cc3ccc(O)cc3)Cc4c(cccc4)C5)CCC | InChi: | InChI=1S/C32H35N3O5/c1-2-5-27(30(38)33-17-16-21-8-12-25(36)13-9-21)35-29(18-22-10-14-26(37)15-11-22)31(39)34-20-24-7-4-3-6-23(24)19-28(34)32(35)40/h3-4,6-15,27-29H,2,5,16-20H2,1H3,(H3,33,36,37,38)/t27-,28-,29-/m0/s1 | Definition date: | 2003-09-09 | Last modified: | 2011-06-04 | Identifier: | (3S,11aS)-3-(4-hydroxybenzyl)-2-[(1S)-1-{[2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]-4-oxo-3,6,11,11a-tetrahydro-4H-pyrazino[1,2-b]isoquinolin-2-ium-1-olate |
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![UMX UMX](https://data.pdbj.org/pdbjplus/data/cc/svg/UMX.svg) | UMX | Name: | [(1R,3R,4R,5S,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate | Formula: | C12 H17 N2 O8 P | SMILES: | O=P(O)(O)OCC23OC(N1C(=O)NC(=O)C=C1)C(C(C2)C)C3O | InChi: | InChI=1S/C12H17N2O8P/c1-6-4-12(5-21-23(18,19)20)9(16)8(6)10(22-12)14-3-2-7(15)13-11(14)17/h2-3,6,8-10,16H,4-5H2,1H3,(H,13,15,17)(H2,18,19,20)/t6-,8+,9-,10+,12+/m0/s1 | Definition date: | 2010-10-11 | Last modified: | 2011-06-04 | Identifier: | [(1R,3R,4R,5S,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate |
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![0AY 0AY](https://data.pdbj.org/pdbjplus/data/cc/svg/0AY.svg) | 0AY | Name: | diethyl [(1R)-1,5-diaminopentyl]boronate | Formula: | C9 H23 B N2 O2 | SMILES: | O(B(OCC)C(N)CCCCN)CC | InChi: | InChI=1S/C9H23BN2O2/c1-3-13-10(14-4-2)9(12)7-5-6-8-11/h9H,3-8,11-12H2,1-2H3/t9-/m0/s1 | Definition date: | 2007-11-09 | Last modified: | 2011-06-04 | Identifier: | diethyl [(1R)-1,5-diaminopentyl]boronate |
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![UNI UNI](https://data.pdbj.org/pdbjplus/data/cc/svg/UNI.svg) | UNI | Name: | 4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYL BENZENSULFONAMIDE | Formula: | C28 H28 N2 O5 S | SMILES: | N#Cc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C(C3=C(O)C4=C(OC3=O)CCCCCC4)C5CC5 | InChi: | InChI=1S/C28H28N2O5S/c29-17-18-10-14-22(15-11-18)36(33,34)30-21-7-5-6-20(16-21)25(19-12-13-19)26-27(31)23-8-3-1-2-4-9-24(23)35-28(26)32/h5-7,10-11,14-16,19,25,30-31H,1-4,8-9,12-13H2/t25-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 4-cyano-N-{3-[(S)-cyclopropyl(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)methyl]phenyl}benzenesulfonamide |
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![YAK YAK](https://data.pdbj.org/pdbjplus/data/cc/svg/YAK.svg) | YAK | Name: | N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide | Formula: | C23 H23 F N4 O6 S2 | SMILES: | Fc1ccc(cc1)CN4C(=O)C(C3=Nc2c(cc(cc2)NS(=O)(=O)C)S(=O)(=O)N3)=C(O)C5CCCC45 | InChi: | InChI=1S/C23H23FN4O6S2/c1-35(31,32)26-15-9-10-17-19(11-15)36(33,34)27-22(25-17)20-21(29)16-3-2-4-18(16)28(23(20)30)12-13-5-7-14(24)8-6-13/h5-11,16,18,26,29H,2-4,12H2,1H3,(H,25,27)/t16-,18+/m1/s1 | Definition date: | 2009-04-17 | Last modified: | 2011-06-04 | Identifier: | N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide |
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![PCU PCU](https://data.pdbj.org/pdbjplus/data/cc/svg/PCU.svg) | PCU | Name: | CU(II)MESO(4-N-TETRAMETHYLPYRIDYL)PORPHYRIN | Formula: | C44 H36 Cu N8 | SMILES: | c56C(=C1/C=CN(C=C1)C)c%11ccc%12C(=C2/C=CN(C=C2)C)/c%10ccc9C(=C3/C=CN(C=C3)C)/c8ccc7C(=C4/C=CN(C=C4)C)/c(cc5)n6[Cu](n78)(n9%10)n%11%12 | InChi: | InChI=1S/C44H36N8.Cu/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | [5,10,15,20-tetrakis(1-methylpyridin-4(1H)-ylidene)-5,10,15,20,22,24-hexahydroporphyrinato(4-)-kappa~4~N~21~,N~22~,N~23~,N~24~]copper |
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![PD7 PD7](https://data.pdbj.org/pdbjplus/data/cc/svg/PD7.svg) | PD7 | Name: | (2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate | Formula: | C17 H33 O8 P | SMILES: | O=P(O)(OCC(OC(=O)CCCCCC)COC(=O)CCCCCC)O | InChi: | InChI=1S/C17H33O8P/c1-3-5-7-9-11-16(18)23-13-15(14-24-26(20,21)22)25-17(19)12-10-8-6-4-2/h15H,3-14H2,1-2H3,(H2,20,21,22)/t15-/m1/s1 | Definition date: | 2007-12-07 | Last modified: | 2011-06-04 | Identifier: | (2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate |
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![VX2 VX2](https://data.pdbj.org/pdbjplus/data/cc/svg/VX2.svg) | VX2 | Name: | N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine | Formula: | C18 H18 F3 N5 | SMILES: | FC(F)(F)c4cccc(c2nnc1ccc(nn12)NC3CCCCC3)c4 | InChi: | InChI=1S/C18H18F3N5/c19-18(20,21)13-6-4-5-12(11-13)17-24-23-16-10-9-15(25-26(16)17)22-14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8H2,(H,22,25) | Definition date: | 2007-11-28 | Last modified: | 2011-06-04 | Identifier: | N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine |
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![Q6W Q6W](https://data.pdbj.org/pdbjplus/data/cc/svg/Q6W.svg) | Q6W | Name: | 3-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)propanamide | Formula: | C31 H30 N6 O2 | SMILES: | O=C(NCc1ncccc1)CCc5cc6C(=O)c4cc(c2cn(nc2)C3CCNCC3)cnc4C=Cc6cc5 | InChi: | InChI=1S/C31H30N6O2/c38-30(35-19-25-3-1-2-12-33-25)9-5-21-4-6-22-7-8-29-28(31(39)27(22)15-21)16-23(17-34-29)24-18-36-37(20-24)26-10-13-32-14-11-26/h1-4,6-8,12,15-18,20,26,32H,5,9-11,13-14,19H2,(H,35,38) | Definition date: | 2011-01-04 | Last modified: | 2011-06-04 | Identifier: | 3-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)propanamide |
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![NPB NPB](https://data.pdbj.org/pdbjplus/data/cc/svg/NPB.svg) | NPB | Name: | 3-NITROPHENYLBORONIC ACID | Formula: | C6 H6 B N O4 | SMILES: | [O-][N+](=O)c1cc(B(O)O)ccc1 | InChi: | InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H | Definition date: | 2001-11-19 | Last modified: | 2011-06-04 | Identifier: | (3-nitrophenyl)boronic acid |
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![Q74 Q74](https://data.pdbj.org/pdbjplus/data/cc/svg/Q74.svg) | Q74 | Name: | 2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid | Formula: | C17 H10 F3 N3 O2 S | SMILES: | O=C(O)Cn2c1ncccc1c(c2)Cc3nc4c(F)c(F)cc(F)c4s3 | InChi: | InChI=1S/C17H10F3N3O2S/c18-10-5-11(19)16-15(14(10)20)22-12(26-16)4-8-6-23(7-13(24)25)17-9(8)2-1-3-21-17/h1-3,5-6H,4,7H2,(H,24,25) | Definition date: | 2009-02-10 | Last modified: | 2011-06-04 | Identifier: | {3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}acetic acid |
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![T16 T16](https://data.pdbj.org/pdbjplus/data/cc/svg/T16.svg) | T16 | Name: | BOROLOG2 | Formula: | C23 H32 B Br2 N3 O6 | SMILES: | O=C(NC(B(O)O)CCC(Br)Br)C2N(C(=O)C(NC(=O)CCCC=O)Cc1ccccc1)CCC2 | InChi: | InChI=1S/C23H32BBr2N3O6/c25-20(26)12-11-19(24(34)35)28-22(32)18-9-6-13-29(18)23(33)17(15-16-7-2-1-3-8-16)27-21(31)10-4-5-14-30/h1-3,7-8,14,17-20,34-35H,4-6,9-13,15H2,(H,27,31)(H,28,32)/t17-,18-,19-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | N-(5-oxopentanoyl)-L-phenylalanyl-N-[(1R)-4,4-dibromo-1-(dihydroxyboranyl)butyl]-L-prolinamide |
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![T18 T18](https://data.pdbj.org/pdbjplus/data/cc/svg/T18.svg) | T18 | Name: | N-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide | Formula: | C25 H19 F2 N3 O6 S2 | SMILES: | Fc1ccc(cc1)CN4c5ccc(F)cc5C(O)=C(C=3Nc2c(cc(cc2)NS(=O)(=O)C)S(=O)(=O)C=3)C4=O | InChi: | InChI=1S/C25H19F2N3O6S2/c1-37(33,34)29-17-7-8-19-22(11-17)38(35,36)13-20(28-19)23-24(31)18-10-16(27)6-9-21(18)30(25(23)32)12-14-2-4-15(26)5-3-14/h2-11,13,28-29,31H,12H2,1H3 | Definition date: | 2009-02-26 | Last modified: | 2011-06-04 | Identifier: | N-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide |
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![KGQ KGQ](https://data.pdbj.org/pdbjplus/data/cc/svg/KGQ.svg) | KGQ | Name: | DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE | Formula: | C33 H49 N2 O12 P S | SMILES: | O=P(OCC)(OCC)COc1ccc(cc1)CC(NC(=O)OC2COC3OCCC23)C(O)CN(CC(C)C)S(=O)(=O)c4ccc(OC)cc4 | InChi: | InChI=1S/C33H49N2O12PS/c1-6-45-48(38,46-7-2)22-44-26-10-8-24(9-11-26)18-29(34-33(37)47-31-21-43-32-28(31)16-17-42-32)30(36)20-35(19-23(3)4)49(39,40)27-14-12-25(41-5)13-15-27/h8-15,23,28-32,36H,6-7,16-22H2,1-5H3,(H,34,37)/t28-,29-,30+,31-,32+/m0/s1 | Definition date: | 2006-08-24 | Last modified: | 2011-06-04 | Identifier: | diethyl ({4-[(2S,3R)-2-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butyl]phenoxy}methyl)phosphonate |
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![RFP RFP](https://data.pdbj.org/pdbjplus/data/cc/svg/RFP.svg) | RFP | Name: | RIFAMPICIN | Formula: | C43 H58 N4 O12 | SMILES: | O=C4c5c2c(O)c(C=NN1CCN(C)CC1)c3c(O)c2c(O)c(c5OC4(OC=CC(OC)C(C(OC(=O)C)C(C)C(O)C(C)C(O)C(C=CC=C(C(=O)N3)C)C)C)C)C | InChi: | InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1 | Definition date: | 2001-03-16 | Last modified: | 2011-06-04 | Identifier: | (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate |
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![PDR PDR](https://data.pdbj.org/pdbjplus/data/cc/svg/PDR.svg) | PDR | Name: | 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methyl-1H-pyrrolo[3,2-b]pyridine | Formula: | C17 H15 Cl N4 O2 | SMILES: | Clc3c4cc(c2c1nc(OC)c(OC)cc1n(c2)C)nc4ncc3 | InChi: | InChI=1S/C17H15ClN4O2/c1-22-8-10(12-6-9-11(18)4-5-19-16(9)20-12)15-13(22)7-14(23-2)17(21-15)24-3/h4-8H,1-3H3,(H,19,20) | Definition date: | 2010-03-02 | Last modified: | 2011-06-04 | Identifier: | 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methyl-1H-pyrrolo[3,2-b]pyridine |
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