![ESF ESF](https://data.pdbj.org/pdbjplus/data/cc/svg/ESF.svg) | ESF | Name: | (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide | Formula: | C19 H27 N3 O4 | SMILES: | CC(C)[CH](O)C(=O)N[CH](C)C(=O)N[CH]1C(=O)N(C)CCc2ccccc12 | InChi: | InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1 | Definition date: | 2020-01-21 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | (2~{S})-3-methyl-~{N}-[(2~{S})-1-[(3-methyl-4-oxidanylidene-2,5-dihydro-1~{H}-3-benzazepin-5-yl)amino]-1-oxidanylidene-propan-2-yl]-2-oxidanyl-butanamide |
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![ET3 ET3](https://data.pdbj.org/pdbjplus/data/cc/svg/ET3.svg) | ET3 | Name: | 2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{N},~{N}-bis(2-methoxyethyl)ethanamide | Formula: | C30 H42 N2 O9 | SMILES: | CCc1c(O)cc(O)c(C(=O)c2ccc(OCCN3CCOCC3)c(OC)c2)c1CC(=O)N(CCOC)CCOC | InChi: | InChI=1S/C30H42N2O9/c1-5-22-23(19-28(35)32(11-13-37-2)12-14-38-3)29(25(34)20-24(22)33)30(36)21-6-7-26(27(18-21)39-4)41-17-10-31-8-15-40-16-9-31/h6-7,18,20,33-34H,5,8-17,19H2,1-4H3 | Definition date: | 2020-01-23 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | 2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{N},~{N}-bis(2-methoxyethyl)ethanamide |
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![VXG VXG](https://data.pdbj.org/pdbjplus/data/cc/svg/VXG.svg) | VXG | Name: | (3S,4R)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid | Formula: | C13 H15 N O3 | SMILES: | N2(C(C)=O)CC(c1ccccc1)C(C2)C(=O)O | InChi: | InChI=1S/C13H15NO3/c1-9(15)14-7-11(12(8-14)13(16)17)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,16,17)/t11-,12+/m0/s1 | Definition date: | 2020-09-17 | Last modified: | 2021-01-19 | Release date: | 2020-09-30 | Identifier: | (3S,4R)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid |
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![U9V U9V](https://data.pdbj.org/pdbjplus/data/cc/svg/U9V.svg) | U9V | Name: | pentadecyl(tetradecyl)peroxyanhydride | Formula: | C33 H64 O4 | SMILES: | O(C(=O)CCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCC | InChi: | InChI=1S/C33H64O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(35)37-31-30-36-32(34)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3 | Definition date: | 2020-05-05 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | 2-(pentadecanoyloxy)ethyl hexadecanoate |
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![QNE QNE](https://data.pdbj.org/pdbjplus/data/cc/svg/QNE.svg) | QNE | Name: | ~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine | Formula: | C28 H35 F2 N5 O | SMILES: | COc1cc(NC2CN(CCCF)C2)ccc1[CH]3N(CC4(F)CC4)[CH](C)Cc5c3ccc6n[nH]cc56 | InChi: | InChI=1S/C28H35F2N5O/c1-18-12-23-21(6-7-25-24(23)14-31-33-25)27(35(18)17-28(30)8-9-28)22-5-4-19(13-26(22)36-2)32-20-15-34(16-20)11-3-10-29/h4-7,13-14,18,20,27,32H,3,8-12,15-17H2,1-2H3,(H,31,33)/t18-,27+/m1/s1 | Definition date: | 2020-07-08 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | ~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine |
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![QNH QNH](https://data.pdbj.org/pdbjplus/data/cc/svg/QNH.svg) | QNH | Name: | 6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine | Formula: | C24 H29 F3 N6 | SMILES: | CCCN1CC(C1)Nc2ccc(nc2)[CH]3N(CC(F)(F)F)[CH](C)Cc4c3ccc5[nH]ncc45 | InChi: | InChI=1S/C24H29F3N6/c1-3-8-32-12-17(13-32)30-16-4-6-22(28-10-16)23-18-5-7-21-20(11-29-31-21)19(18)9-15(2)33(23)14-24(25,26)27/h4-7,10-11,15,17,23,30H,3,8-9,12-14H2,1-2H3,(H,29,31)/t15-,23+/m1/s1 | Definition date: | 2020-07-08 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | 6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine |
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![QNK QNK](https://data.pdbj.org/pdbjplus/data/cc/svg/QNK.svg) | QNK | Name: | 6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine | Formula: | C26 H32 F2 N6 | SMILES: | C[CH]1Cc2c(ccc3n[nH]cc23)[CH](N1CC4(F)CC4)c5ccc(NC6CN(CCCF)C6)cn5 | InChi: | InChI=1S/C26H32F2N6/c1-17-11-21-20(4-6-23-22(21)13-30-32-23)25(34(17)16-26(28)7-8-26)24-5-3-18(12-29-24)31-19-14-33(15-19)10-2-9-27/h3-6,12-13,17,19,25,31H,2,7-11,14-16H2,1H3,(H,30,32)/t17-,25+/m1/s1 | Definition date: | 2020-07-08 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | 6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine |
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![T4H T4H](https://data.pdbj.org/pdbjplus/data/cc/svg/T4H.svg) | T4H | Name: | 3-Chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide | Formula: | C12 H11 Cl N2 O3 S | SMILES: | Clc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O | InChi: | InChI=1S/C12H11ClN2O3S/c13-9-3-1-2-8(6-9)11(17)14-4-5-15-10(16)7-19-12(15)18/h1-3,6H,4-5,7H2,(H,14,17) | Synonyms: | ~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-chloranyl-benzamide | Definition date: | 2020-12-14 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | ~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-chloranyl-benzamide |
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![W47 W47](https://data.pdbj.org/pdbjplus/data/cc/svg/W47.svg) | W47 | Name: | 1-{(1S,2S)-1-(2,4-difluorophenyl)-2-[2-(3-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl}methanamine | Formula: | C21 H18 F5 N3 O | SMILES: | Cc4cc(c1c(ccc(C(F)(F)F)c1)OC2CC2(CN)c3ccc(cc3F)F)nn4 | InChi: | InChI=1S/C21H18F5N3O/c1-11-6-17(29-28-11)14-7-12(21(24,25)26)2-5-18(14)30-19-9-20(19,10-27)15-4-3-13(22)8-16(15)23/h2-8,19H,9-10,27H2,1H3,(H,28,29)/t19-,20+/m0/s1 | Definition date: | 2020-09-26 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | 1-{(1S,2S)-1-(2,4-difluorophenyl)-2-[2-(3-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl}methanamine |
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![QST QST](https://data.pdbj.org/pdbjplus/data/cc/svg/QST.svg) | QST | Name: | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid | Formula: | C10 H17 N O4 S2 | SMILES: | CCOC(=O)[C]1(CS)N[CH](C(O)=O)C(C)(C)S1 | InChi: | InChI=1S/C10H17NO4S2/c1-4-15-8(14)10(5-16)11-6(7(12)13)9(2,3)17-10/h6,11,16H,4-5H2,1-3H3,(H,12,13)/t6-,10+/m0/s1 | Definition date: | 2020-08-03 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid |
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![QT2 QT2](https://data.pdbj.org/pdbjplus/data/cc/svg/QT2.svg) | QT2 | Name: | (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid | Formula: | C10 H17 N O4 S2 | SMILES: | CCOC(=O)[C]1(CS)N[CH](C(O)=O)C(C)(C)S1 | InChi: | InChI=1S/C10H17NO4S2/c1-4-15-8(14)10(5-16)11-6(7(12)13)9(2,3)17-10/h6,11,16H,4-5H2,1-3H3,(H,12,13)/t6-,10-/m1/s1 | Definition date: | 2020-08-04 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid |
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![R81 R81](https://data.pdbj.org/pdbjplus/data/cc/svg/R81.svg) | R81 | Name: | N,N'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide) | Formula: | C32 H36 N6 O4 | SMILES: | C(NCc4ccc(C(=O)Nc3c(c(c2c(c(NC(c1ncc(cc1)CNCCO)=O)ccc2)C)ccc3)C)nc4)CO | InChi: | InChI=1S/C32H36N6O4/c1-21-25(5-3-7-27(21)37-31(41)29-11-9-23(19-35-29)17-33-13-15-39)26-6-4-8-28(22(26)2)38-32(42)30-12-10-24(20-36-30)18-34-14-16-40/h3-12,19-20,33-34,39-40H,13-18H2,1-2H3,(H,37,41)(H,38,42) | Definition date: | 2020-02-07 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | N,N'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide) |
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![X5Y X5Y](https://data.pdbj.org/pdbjplus/data/cc/svg/X5Y.svg) | X5Y | Name: | tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Formula: | C31 H39 N3 O3 S | SMILES: | C(SC(C(NCCCc1cnccc1)=O)Cc2ccccc2)C(Cc3ccccc3)NC(OC(C)(C)C)=O | InChi: | InChI=1S/C31H39N3O3S/c1-31(2,3)37-30(36)34-27(20-24-12-6-4-7-13-24)23-38-28(21-25-14-8-5-9-15-25)29(35)33-19-11-17-26-16-10-18-32-22-26/h4-10,12-16,18,22,27-28H,11,17,19-21,23H2,1-3H3,(H,33,35)(H,34,36)/t27-,28+/m0/s1 | Definition date: | 2020-12-01 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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![X6J X6J](https://data.pdbj.org/pdbjplus/data/cc/svg/X6J.svg) | X6J | Name: | tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | Formula: | C35 H41 N3 O3 S | SMILES: | C(C(Cc1cccc2ccccc12)NC(OC(C)(C)C)=O)SC(C(=O)NCCCc3cccnc3)Cc4ccccc4 | InChi: | InChI=1S/C35H41N3O3S/c1-35(2,3)41-34(40)38-30(23-29-18-9-17-28-16-7-8-19-31(28)29)25-42-32(22-26-12-5-4-6-13-26)33(39)37-21-11-15-27-14-10-20-36-24-27/h4-10,12-14,16-20,24,30,32H,11,15,21-23,25H2,1-3H3,(H,37,39)(H,38,40)/t30-,32+/m1/s1 | Definition date: | 2020-12-01 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
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![VRM VRM](https://data.pdbj.org/pdbjplus/data/cc/svg/VRM.svg) | VRM | Name: | 3-(3-methyl-1H-pyrazol-5-yl)pyridine | Formula: | C9 H9 N3 | SMILES: | c1(cc(C)nn1)c2cnccc2 | InChi: | InChI=1S/C9H9N3/c1-7-5-9(12-11-7)8-3-2-4-10-6-8/h2-6H,1H3,(H,11,12) | Definition date: | 2020-09-11 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | 3-(3-methyl-1H-pyrazol-5-yl)pyridine |
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![X6S X6S](https://data.pdbj.org/pdbjplus/data/cc/svg/X6S.svg) | X6S | Name: | tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | Formula: | C35 H41 N3 O3 S | SMILES: | C(C(=O)NCCCc1cnccc1)(Cc2ccccc2)SCC(Cc4c3c(cccc3)ccc4)NC(OC(C)(C)C)=O | InChi: | InChI=1S/C35H41N3O3S/c1-35(2,3)41-34(40)38-30(23-29-18-9-17-28-16-7-8-19-31(28)29)25-42-32(22-26-12-5-4-6-13-26)33(39)37-21-11-15-27-14-10-20-36-24-27/h4-10,12-14,16-20,24,30,32H,11,15,21-23,25H2,1-3H3,(H,37,39)(H,38,40)/t30-,32+/m0/s1 | Definition date: | 2020-12-01 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
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![X6V X6V](https://data.pdbj.org/pdbjplus/data/cc/svg/X6V.svg) | X6V | Name: | tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | Formula: | C33 H40 N4 O3 S | SMILES: | C(SCC(Cc2c1c(cccc1)nc2)NC(OC(C)(C)C)=O)(C(=O)NCCCc3cnccc3)Cc4ccccc4 | InChi: | InChI=1S/C33H40N4O3S/c1-33(2,3)40-32(39)37-27(20-26-22-36-29-16-8-7-15-28(26)29)23-41-30(19-24-11-5-4-6-12-24)31(38)35-18-10-14-25-13-9-17-34-21-25/h4-9,11-13,15-17,21-22,27,30,36H,10,14,18-20,23H2,1-3H3,(H,35,38)(H,37,39)/t27-,30+/m0/s1 | Definition date: | 2020-12-01 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
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![X71 X71](https://data.pdbj.org/pdbjplus/data/cc/svg/X71.svg) | X71 | Name: | tert-butyl [(2S)-1-{[(2R)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Formula: | C32 H41 N3 O3 S | SMILES: | C(c1ccccc1)C(C(=O)NCCCc2cnccc2)CSCC(NC(OC(C)(C)C)=O)Cc3ccccc3 | InChi: | InChI=1S/C32H41N3O3S/c1-32(2,3)38-31(37)35-29(21-26-14-8-5-9-15-26)24-39-23-28(20-25-12-6-4-7-13-25)30(36)34-19-11-17-27-16-10-18-33-22-27/h4-10,12-16,18,22,28-29H,11,17,19-21,23-24H2,1-3H3,(H,34,36)(H,35,37)/t28-,29-/m0/s1 | Definition date: | 2020-12-01 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | tert-butyl [(2S)-1-{[(2R)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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![X74 X74](https://data.pdbj.org/pdbjplus/data/cc/svg/X74.svg) | X74 | Name: | tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | Formula: | C35 H41 N3 O3 S | SMILES: | CC(OC(NC(CSC(C(NCCCc1cnccc1)=O)Cc2ccccc2)Cc3cccc4c3cccc4)=O)(C)C | InChi: | InChI=1S/C35H41N3O3S/c1-35(2,3)41-34(40)38-30(23-29-18-9-17-28-16-7-8-19-31(28)29)25-42-32(22-26-12-5-4-6-13-26)33(39)37-21-11-15-27-14-10-20-36-24-27/h4-10,12-14,16-20,24,30,32H,11,15,21-23,25H2,1-3H3,(H,37,39)(H,38,40)/t30-,32-/m1/s1 | Definition date: | 2020-12-01 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
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![X7D X7D](https://data.pdbj.org/pdbjplus/data/cc/svg/X7D.svg) | X7D | Name: | tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | Formula: | C35 H41 N3 O3 S | SMILES: | CC(C)(OC(NC(Cc1cccc2c1cccc2)CSC(C(=O)NCCCc3cnccc3)Cc4ccccc4)=O)C | InChi: | InChI=1S/C35H41N3O3S/c1-35(2,3)41-34(40)38-30(23-29-18-9-17-28-16-7-8-19-31(28)29)25-42-32(22-26-12-5-4-6-13-26)33(39)37-21-11-15-27-14-10-20-36-24-27/h4-10,12-14,16-20,24,30,32H,11,15,21-23,25H2,1-3H3,(H,37,39)(H,38,40)/t30-,32-/m0/s1 | Definition date: | 2020-12-01 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
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![X7J X7J](https://data.pdbj.org/pdbjplus/data/cc/svg/X7J.svg) | X7J | Name: | tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Formula: | C31 H39 N3 O3 S | SMILES: | C(C(Cc1ccccc1)NC(OC(C)(C)C)=O)SC(C(NCCCc2cnccc2)=O)Cc3ccccc3 | InChi: | InChI=1S/C31H39N3O3S/c1-31(2,3)37-30(36)34-27(20-24-12-6-4-7-13-24)23-38-28(21-25-14-8-5-9-15-25)29(35)33-19-11-17-26-16-10-18-32-22-26/h4-10,12-16,18,22,27-28H,11,17,19-21,23H2,1-3H3,(H,33,35)(H,34,36)/t27-,28-/m1/s1 | Definition date: | 2020-12-01 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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![X7M X7M](https://data.pdbj.org/pdbjplus/data/cc/svg/X7M.svg) | X7M | Name: | tert-butyl [(2S)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Formula: | C31 H39 N3 O3 S | SMILES: | C(C(C(=O)NCCCc1cnccc1)SCC(Cc2ccccc2)NC(=O)OC(C)(C)C)c3ccccc3 | InChi: | InChI=1S/C31H39N3O3S/c1-31(2,3)37-30(36)34-27(20-24-12-6-4-7-13-24)23-38-28(21-25-14-8-5-9-15-25)29(35)33-19-11-17-26-16-10-18-32-22-26/h4-10,12-16,18,22,27-28H,11,17,19-21,23H2,1-3H3,(H,33,35)(H,34,36)/t27-,28-/m0/s1 | Definition date: | 2020-12-01 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | tert-butyl [(2S)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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![X7P X7P](https://data.pdbj.org/pdbjplus/data/cc/svg/X7P.svg) | X7P | Name: | tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Formula: | C31 H39 N3 O3 S | SMILES: | C(SC(C(NCCCc1cnccc1)=O)Cc2ccccc2)C(Cc3ccccc3)NC(OC(C)(C)C)=O | InChi: | InChI=1S/C31H39N3O3S/c1-31(2,3)37-30(36)34-27(20-24-12-6-4-7-13-24)23-38-28(21-25-14-8-5-9-15-25)29(35)33-19-11-17-26-16-10-18-32-22-26/h4-10,12-16,18,22,27-28H,11,17,19-21,23H2,1-3H3,(H,33,35)(H,34,36)/t27-,28+/m1/s1 | Definition date: | 2020-12-01 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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![VTA VTA](https://data.pdbj.org/pdbjplus/data/cc/svg/VTA.svg) | VTA | Name: | 4-{[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]oxy}-3-(5-methyl-1H-pyrazol-3-yl)benzonitrile | Formula: | C20 H15 F2 N3 O | SMILES: | c4(c1cc(C#N)ccc1OC2CC2c3ccc(cc3F)F)cc(C)nn4 | InChi: | InChI=1S/C20H15F2N3O/c1-11-6-18(25-24-11)16-7-12(10-23)2-5-19(16)26-20-9-15(20)14-4-3-13(21)8-17(14)22/h2-8,15,20H,9H2,1H3,(H,24,25)/t15-,20-/m1/s1 | Definition date: | 2020-09-11 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | 4-{[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]oxy}-3-(5-methyl-1H-pyrazol-3-yl)benzonitrile |
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![VTD VTD](https://data.pdbj.org/pdbjplus/data/cc/svg/VTD.svg) | VTD | Name: | 3-(3-chlorophenyl)-5-methyl-1H-pyrazole | Formula: | C10 H9 Cl N2 | SMILES: | c1(cc(C)nn1)c2cc(ccc2)Cl | InChi: | InChI=1S/C10H9ClN2/c1-7-5-10(13-12-7)8-3-2-4-9(11)6-8/h2-6H,1H3,(H,12,13) | Definition date: | 2020-09-11 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | 3-(3-chlorophenyl)-5-methyl-1H-pyrazole |
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