![M06 M06](https://data.pdbj.org/pdbjplus/data/cc/svg/M06.svg) | M06 | Name: | 3-chloro-5-{[4-methyl-2-oxo-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile | Formula: | C20 H14 Cl N5 O2 | SMILES: | N#Cc4cc(OC1=C(C=CN(C1=O)Cc2c3cccnc3nn2)C)cc(Cl)c4 | InChi: | InChI=1S/C20H14ClN5O2/c1-12-4-6-26(11-17-16-3-2-5-23-19(16)25-24-17)20(27)18(12)28-15-8-13(10-22)7-14(21)9-15/h2-9H,11H2,1H3,(H,23,24,25) | Definition date: | 2011-08-09 | Last modified: | 2011-10-21 | Identifier: | 3-chloro-5-{[4-methyl-2-oxo-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile |
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![5MA 5MA](https://data.pdbj.org/pdbjplus/data/cc/svg/5MA.svg) | 5MA | Name: | 1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine | Formula: | C20 H14 Cl3 N7 O | SMILES: | Clc5cc(Oc4c(Cl)ccc1c4nnn1Cc2c3cccnc3nn2)c(Cl)c(c5)CN | InChi: | InChI=1S/C20H14Cl3N7O/c21-11-6-10(8-24)17(23)16(7-11)31-19-13(22)3-4-15-18(19)27-29-30(15)9-14-12-2-1-5-25-20(12)28-26-14/h1-7H,8-9,24H2,(H,25,26,28) | Definition date: | 2011-07-22 | Last modified: | 2011-10-21 | Identifier: | 1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine |
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![YJX YJX](https://data.pdbj.org/pdbjplus/data/cc/svg/YJX.svg) | YJX | Name: | 1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one | Formula: | C18 H14 N4 O | SMILES: | O=C2c1ccccc1C=5N2CCCC=5c4nc3ccncc3n4 | InChi: | InChI=1S/C18H14N4O/c23-18-12-5-2-1-4-11(12)16-13(6-3-9-22(16)18)17-20-14-7-8-19-10-15(14)21-17/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,21) | Definition date: | 2011-05-24 | Last modified: | 2011-10-14 | Identifier: | 1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one |
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![YKI YKI](https://data.pdbj.org/pdbjplus/data/cc/svg/YKI.svg) | YKI | Name: | 1-H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXYLIC ACID [4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL]-AMIDE | Formula: | C27 H18 N6 O | SMILES: | O=C(c1ccnc2c1ccn2)NC7c3ccccc3c6c(c4nc5ccncc5n4)cccc67 | InChi: | InChI=1S/C27H18N6O/c34-27(18-9-13-30-25-17(18)8-12-29-25)33-24-16-5-2-1-4-15(16)23-19(24)6-3-7-20(23)26-31-21-10-11-28-14-22(21)32-26/h1-14,24H,(H,29,30)(H,31,32)(H,33,34)/t24-/m1/s1 | Definition date: | 2011-05-27 | Last modified: | 2011-10-14 | Identifier: | N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide |
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![3T9 3T9](https://data.pdbj.org/pdbjplus/data/cc/svg/3T9.svg) | 3T9 | Name: | 2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol | Formula: | C19 H15 N3 O2 | SMILES: | n2c(ccc3c(c1ccccc1)nnc23)c4ccc(O)c(OC)c4 | InChi: | InChI=1S/C19H15N3O2/c1-24-17-11-13(7-10-16(17)23)15-9-8-14-18(21-22-19(14)20-15)12-5-3-2-4-6-12/h2-11,23H,1H3,(H,20,21,22) | Definition date: | 2011-08-11 | Last modified: | 2011-10-07 | Identifier: | 2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol |
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![B0R B0R](https://data.pdbj.org/pdbjplus/data/cc/svg/B0R.svg) | B0R | Name: | 2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[(propylsulfonyl)amino]benzamide | Formula: | C17 H17 F2 N5 O4 S | SMILES: | O=S(=O)(Nc1ccc(F)c(c1F)C(=O)Nc2cc3c(OC)nnc3nc2)CCC | InChi: | InChI=1S/C17H17F2N5O4S/c1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23) | Definition date: | 2011-09-20 | Last modified: | 2011-09-30 | Identifier: | 2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[(propylsulfonyl)amino]benzamide |
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![RSG RSG](https://data.pdbj.org/pdbjplus/data/cc/svg/RSG.svg) | RSG | Name: | (3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol | Formula: | C6 H10 O3 | SMILES: | OC1COC2OCCC12 | InChi: | InChI=1S/C6H10O3/c7-5-3-9-6-4(5)1-2-8-6/h4-7H,1-3H2/t4-,5-,6+/m1/s1 | Definition date: | 2011-05-04 | Last modified: | 2011-09-16 | Identifier: | (3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol |
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![PD4 PD4](https://data.pdbj.org/pdbjplus/data/cc/svg/PD4.svg) | PD4 | Name: | 6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one | Formula: | C24 H32 N6 O4 | SMILES: | O=C3N(c4nc(c1ccc(OC)nc1)ccc4N=C3NCCN2CCOCC2)CCOCCC | InChi: | InChI=1S/C24H32N6O4/c1-3-13-33-16-12-30-23-20(6-5-19(28-23)18-4-7-21(32-2)26-17-18)27-22(24(30)31)25-8-9-29-10-14-34-15-11-29/h4-7,17H,3,8-16H2,1-2H3,(H,25,27) | Definition date: | 2009-05-13 | Last modified: | 2011-08-25 | Identifier: | 6-(6-methoxypyridin-3-yl)-2-{[2-(morpholin-4-yl)ethyl]amino}-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one |
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![KRC KRC](https://data.pdbj.org/pdbjplus/data/cc/svg/KRC.svg) | KRC | Name: | (9aS)-8-acetyl-N-[(2-ethylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide | Formula: | C30 H27 N O7 | SMILES: | O=C(NCc2c1ccccc1ccc2CC)c4c3OC5=CC(O)=C(C(=O)C5(c3c(O)cc4OC)C)C(=O)C | InChi: | InChI=1S/C30H27NO7/c1-5-16-10-11-17-8-6-7-9-18(17)19(16)14-31-29(36)25-22(37-4)12-21(34)26-27(25)38-23-13-20(33)24(15(2)32)28(35)30(23,26)3/h6-13,33-34H,5,14H2,1-4H3,(H,31,36)/t30-/m1/s1 | Definition date: | 2011-07-13 | Last modified: | 2011-08-19 | Identifier: | (9aS)-8-acetyl-N-[(2-ethylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide |
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![G89 G89](https://data.pdbj.org/pdbjplus/data/cc/svg/G89.svg) | G89 | Name: | (3R,3aR,5R,6aR)-3-hydroxyhexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate | Formula: | C29 H40 N2 O8 S | SMILES: | O=S(=O)(c1ccc(OC)cc1)N(CC(C)C)CC(O)C(NC(=O)OC3CC2C(OCC2O)C3)Cc4ccccc4 | InChi: | InChI=1S/C29H40N2O8S/c1-19(2)16-31(40(35,36)23-11-9-21(37-3)10-12-23)17-26(32)25(13-20-7-5-4-6-8-20)30-29(34)39-22-14-24-27(33)18-38-28(24)15-22/h4-12,19,22,24-28,32-33H,13-18H2,1-3H3,(H,30,34)/t22-,24-,25+,26-,27+,28-/m1/s1 | Definition date: | 2011-07-28 | Last modified: | 2011-08-12 | Identifier: | (3R,3aR,5R,6aR)-3-hydroxyhexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate |
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![CB7 CB7](https://data.pdbj.org/pdbjplus/data/cc/svg/CB7.svg) | CB7 | Name: | (1R,4S,5R)-3-(BENZO[b]THIOPHEN-5-YL)METHOXY-2-(BENZO[b]THIOPHEN-5-YL)METHYL-1,4,5-TRIHYDROXYCYCLOHEX-2-ENE-1-CARBOXYLATE | Formula: | C25 H22 O6 S2 | SMILES: | O[CH]1C[C](O)(C(O)=O)C(=C(OCc2ccc3sccc3c2)[CH]1O)Cc4ccc5sccc5c4 | InChi: | InChI=1S/C25H22O6S2/c26-19-12-25(30,24(28)29)18(11-14-1-3-20-16(9-14)5-7-32-20)23(22(19)27)31-13-15-2-4-21-17(10-15)6-8-33-21/h1-10,19,22,26-27,30H,11-13H2,(H,28,29)/t19-,22+,25-/m1/s1 | Definition date: | 2011-01-28 | Last modified: | 2011-08-12 | Identifier: | (1R,4S,5R)-3-(1-benzothiophen-5-ylmethoxy)-2-(1-benzothiophen-5-ylmethyl)-1,4,5-trihydroxy-cyclohex-2-ene-1-carboxylic acid |
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![CB8 CB8](https://data.pdbj.org/pdbjplus/data/cc/svg/CB8.svg) | CB8 | Name: | (1R,4S,5R)-3-(BENZO[B]THIOPHEN-2-YL)METHOXY-1,4,5-TRIHYDROXY-2-(THIEN-2-YL)METHYLCYCLOHEX-2-EN-1-CARBOXYLATE | Formula: | C21 H20 O6 S2 | SMILES: | O[CH]1C[C](O)(C(O)=O)C(=C(OCc2sc3ccccc3c2)[CH]1O)Cc4sccc4 | InChi: | InChI=1S/C21H20O6S2/c22-16-10-21(26,20(24)25)15(9-13-5-3-7-28-13)19(18(16)23)27-11-14-8-12-4-1-2-6-17(12)29-14/h1-8,16,18,22-23,26H,9-11H2,(H,24,25)/t16-,18+,21-/m1/s1 | Definition date: | 2011-01-28 | Last modified: | 2011-08-12 | Identifier: | (1R,4S,5R)-3-(1-benzothiophen-2-ylmethoxy)-1,4,5-trihydroxy-2-(thiophen-2-ylmethyl)cyclohex-2-ene-1-carboxylic acid |
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![TR8 TR8](https://data.pdbj.org/pdbjplus/data/cc/svg/TR8.svg) | TR8 | Name: | (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-) | Formula: | C32 H52 B N4 O10 | SMILES: | O=C(NC([B-](O)(O)O)CCO)C3N2C(=O)C(NC(=O)OCC(C)(C)CCCCC1=CC=CC4C1CN(C(=O)OC(C2)C3)C4)C(C)(C)C | InChi: | InChI=1S/C32H52BN4O10/c1-31(2,3)26-28(40)37-17-22(15-24(37)27(39)34-25(12-14-38)33(43,44)45)47-30(42)36-16-21-11-8-10-20(23(21)18-36)9-6-7-13-32(4,5)19-46-29(41)35-26/h8,10-11,21-26,38,43-45H,6-7,9,12-19H2,1-5H3,(H,34,39)(H,35,41)/q-1 | Definition date: | 2010-08-02 | Last modified: | 2011-08-12 | Identifier: | (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-) |
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![BR2 BR2](https://data.pdbj.org/pdbjplus/data/cc/svg/BR2.svg) | BR2 | Name: | 2,6-difluoro-N-[(5S)-3-methoxy-5H-pyrazolo[3,4-b]pyridin-5-yl]-3-[(phenylsulfonyl)amino]benzamide | Formula: | C20 H15 F2 N5 O4 S | SMILES: | O=S(=O)(c1ccccc1)Nc2ccc(F)c(c2F)C(=O)NC3C=C4C(OC)=NN=C4N=C3 | InChi: | InChI=1S/C20H15F2N5O4S/c1-31-20-13-9-11(10-23-18(13)25-26-20)24-19(28)16-14(21)7-8-15(17(16)22)27-32(29,30)12-5-3-2-4-6-12/h2-11,27H,1H3,(H,24,28)/t11-/m0/s1 | Definition date: | 2011-06-29 | Last modified: | 2011-08-12 | Identifier: | 2,6-difluoro-N-[(5S)-3-methoxy-5H-pyrazolo[3,4-b]pyridin-5-yl]-3-[(phenylsulfonyl)amino]benzamide |
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![RYV RYV](https://data.pdbj.org/pdbjplus/data/cc/svg/RYV.svg) | RYV | Name: | N-ethyl-4-sulfamoylbenzamide | Formula: | C9 H12 N2 O3 S | SMILES: | O=S(=O)(N)c1ccc(C(=O)NCC)cc1 | InChi: | InChI=1S/C9H12N2O3S/c1-2-11-9(12)7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14) | Definition date: | 2011-05-13 | Last modified: | 2011-08-05 | Identifier: | N-ethyl-4-sulfamoylbenzamide |
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![RZ5 RZ5](https://data.pdbj.org/pdbjplus/data/cc/svg/RZ5.svg) | RZ5 | Name: | N-pentyl-4-sulfamoylbenzamide | Formula: | C12 H18 N2 O3 S | SMILES: | O=S(=O)(N)c1ccc(C(=O)NCCCCC)cc1 | InChi: | InChI=1S/C12H18N2O3S/c1-2-3-4-9-14-12(15)10-5-7-11(8-6-10)18(13,16)17/h5-8H,2-4,9H2,1H3,(H,14,15)(H2,13,16,17) | Definition date: | 2011-05-16 | Last modified: | 2011-08-05 | Identifier: | N-pentyl-4-sulfamoylbenzamide |
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![RZ8 RZ8](https://data.pdbj.org/pdbjplus/data/cc/svg/RZ8.svg) | RZ8 | Name: | N-hexyl-4-sulfamoylbenzamide | Formula: | C13 H20 N2 O3 S | SMILES: | O=S(=O)(N)c1ccc(C(=O)NCCCCCC)cc1 | InChi: | InChI=1S/C13H20N2O3S/c1-2-3-4-5-10-15-13(16)11-6-8-12(9-7-11)19(14,17)18/h6-9H,2-5,10H2,1H3,(H,15,16)(H2,14,17,18) | Definition date: | 2011-05-17 | Last modified: | 2011-08-05 | Identifier: | N-hexyl-4-sulfamoylbenzamide |
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![A60 A60](https://data.pdbj.org/pdbjplus/data/cc/svg/A60.svg) | A60 | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate | Formula: | C29 H41 N3 O7 S | SMILES: | O=S(=O)(c1ccc(N)cc1)N(CC(CC)CC)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4 | InChi: | InChI=1S/C29H41N3O7S/c1-3-20(4-2)17-32(40(35,36)23-12-10-22(30)11-13-23)18-26(33)25(16-21-8-6-5-7-9-21)31-29(34)39-27-19-38-28-24(27)14-15-37-28/h5-13,20,24-28,33H,3-4,14-19,30H2,1-2H3,(H,31,34)/t24-,25-,26+,27-,28+/m0/s1 | Definition date: | 2010-08-04 | Last modified: | 2011-08-05 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
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![A61 A61](https://data.pdbj.org/pdbjplus/data/cc/svg/A61.svg) | A61 | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate | Formula: | C30 H39 N3 O7 S2 | SMILES: | O=C(OC1C2CCOC2OC1)NC(Cc3ccccc3)C(O)CN(CC(CC)CC)S(=O)(=O)c4ccc5ncsc5c4 | InChi: | InChI=1S/C30H39N3O7S2/c1-3-20(4-2)16-33(42(36,37)22-10-11-24-28(15-22)41-19-31-24)17-26(34)25(14-21-8-6-5-7-9-21)32-30(35)40-27-18-39-29-23(27)12-13-38-29/h5-11,15,19-20,23,25-27,29,34H,3-4,12-14,16-18H2,1-2H3,(H,32,35)/t23-,25-,26+,27-,29+/m0/s1 | Definition date: | 2010-08-04 | Last modified: | 2011-08-05 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate |
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![K13 K13](https://data.pdbj.org/pdbjplus/data/cc/svg/K13.svg) | K13 | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate | Formula: | C28 H39 N3 O7 S | SMILES: | O=S(=O)(c1ccc(N)cc1)N(CC(C)CC)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4 | InChi: | InChI=1S/C28H39N3O7S/c1-3-19(2)16-31(39(34,35)22-11-9-21(29)10-12-22)17-25(32)24(15-20-7-5-4-6-8-20)30-28(33)38-26-18-37-27-23(26)13-14-36-27/h4-12,19,23-27,32H,3,13-18,29H2,1-2H3,(H,30,33)/t19-,23-,24-,25+,26-,27+/m0/s1 | Definition date: | 2010-08-04 | Last modified: | 2011-08-05 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
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![K14 K14](https://data.pdbj.org/pdbjplus/data/cc/svg/K14.svg) | K14 | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate | Formula: | C29 H40 N2 O8 S | SMILES: | O=S(=O)(c1ccc(OC)cc1)N(CC(C)CC)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4 | InChi: | InChI=1S/C29H40N2O8S/c1-4-20(2)17-31(40(34,35)23-12-10-22(36-3)11-13-23)18-26(32)25(16-21-8-6-5-7-9-21)30-29(33)39-27-19-38-28-24(27)14-15-37-28/h5-13,20,24-28,32H,4,14-19H2,1-3H3,(H,30,33)/t20-,24-,25-,26+,27-,28+/m0/s1 | Definition date: | 2010-08-04 | Last modified: | 2011-08-05 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate |
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![K19 K19](https://data.pdbj.org/pdbjplus/data/cc/svg/K19.svg) | K19 | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate | Formula: | C29 H37 N3 O7 S2 | SMILES: | O=C(OC1C2CCOC2OC1)NC(Cc3ccccc3)C(O)CN(CC(C)CC)S(=O)(=O)c4ccc5ncsc5c4 | InChi: | InChI=1S/C29H37N3O7S2/c1-3-19(2)15-32(41(35,36)21-9-10-23-27(14-21)40-18-30-23)16-25(33)24(13-20-7-5-4-6-8-20)31-29(34)39-26-17-38-28-22(26)11-12-37-28/h4-10,14,18-19,22,24-26,28,33H,3,11-13,15-17H2,1-2H3,(H,31,34)/t19-,22-,24-,25+,26-,28+/m0/s1 | Definition date: | 2010-08-04 | Last modified: | 2011-08-05 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
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![K20 K20](https://data.pdbj.org/pdbjplus/data/cc/svg/K20.svg) | K20 | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate | Formula: | C29 H38 N2 O9 S | SMILES: | O=S(=O)(c2cc1OCOc1cc2)N(CC(C)CC)CC(O)C(NC(=O)OC3COC4OCCC34)Cc5ccccc5 | InChi: | InChI=1S/C29H38N2O9S/c1-3-19(2)15-31(41(34,35)21-9-10-25-26(14-21)39-18-38-25)16-24(32)23(13-20-7-5-4-6-8-20)30-29(33)40-27-17-37-28-22(27)11-12-36-28/h4-10,14,19,22-24,27-28,32H,3,11-13,15-18H2,1-2H3,(H,30,33)/t19-,22-,23-,24+,27-,28+/m0/s1 | Definition date: | 2010-08-04 | Last modified: | 2011-08-05 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
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![K2A K2A](https://data.pdbj.org/pdbjplus/data/cc/svg/K2A.svg) | K2A | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)propyl]carbamate | Formula: | C29 H40 N2 O8 S | SMILES: | O=S(=O)(c1ccc(cc1)CO)N(CC(C)CC)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4 | InChi: | InChI=1S/C29H40N2O8S/c1-3-20(2)16-31(40(35,36)23-11-9-22(18-32)10-12-23)17-26(33)25(15-21-7-5-4-6-8-21)30-29(34)39-27-19-38-28-24(27)13-14-37-28/h4-12,20,24-28,32-33H,3,13-19H2,1-2H3,(H,30,34)/t20-,24-,25-,26+,27-,28+/m0/s1 | Definition date: | 2010-08-04 | Last modified: | 2011-08-05 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)-1-phenylbutan-2-yl]carbamate |
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![K2D K2D](https://data.pdbj.org/pdbjplus/data/cc/svg/K2D.svg) | K2D | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate | Formula: | C30 H42 N2 O8 S | SMILES: | O=S(=O)(c1ccc(OC)cc1)N(CC(CC)CC)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4 | InChi: | InChI=1S/C30H42N2O8S/c1-4-21(5-2)18-32(41(35,36)24-13-11-23(37-3)12-14-24)19-27(33)26(17-22-9-7-6-8-10-22)31-30(34)40-28-20-39-29-25(28)15-16-38-29/h6-14,21,25-29,33H,4-5,15-20H2,1-3H3,(H,31,34)/t25-,26-,27+,28-,29+/m0/s1 | Definition date: | 2010-08-04 | Last modified: | 2011-08-05 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
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