![8T6 8T6](https://data.pdbj.org/pdbjplus/data/cc/svg/8T6.svg) | 8T6 | Name: | N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | Formula: | C23 H32 N4 O4 | SMILES: | CC(C)(C)CC(NC(=O)c1cc2ccccc2[NH]1)C(=O)NC(CC1CCNC1=O)CO | InChi: | InChI=1S/C23H32N4O4/c1-23(2,3)12-19(22(31)25-16(13-28)10-15-8-9-24-20(15)29)27-21(30)18-11-14-6-4-5-7-17(14)26-18/h4-7,11,15-16,19,26,28H,8-10,12-13H2,1-3H3,(H,24,29)(H,25,31)(H,27,30)/t15-,16-,19-/m0/s1 | Definition date: | 2021-09-30 | Last modified: | 2022-11-04 | Release date: | 2022-11-09 | Identifier: | N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide |
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![8UI 8UI](https://data.pdbj.org/pdbjplus/data/cc/svg/8UI.svg) | 8UI | Name: | N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Formula: | C24 H34 N4 O5 | SMILES: | COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO | InChi: | InChI=1S/C24H34N4O5/c1-24(2,3)12-19(23(32)26-15(13-29)10-14-8-9-25-21(14)30)28-22(31)18-11-16-17(27-18)6-5-7-20(16)33-4/h5-7,11,14-15,19,27,29H,8-10,12-13H2,1-4H3,(H,25,30)(H,26,32)(H,28,31)/t14-,15-,19-/m0/s1 | Definition date: | 2021-09-30 | Last modified: | 2022-11-04 | Release date: | 2022-11-09 | Identifier: | N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide |
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![8II 8II](https://data.pdbj.org/pdbjplus/data/cc/svg/8II.svg) | 8II | Name: | 3-({4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl}amino)propan-1-ol | Formula: | C18 H18 Cl N5 O | SMILES: | OCCCNc1nccc(c1)c1ccnc(Nc2cc(Cl)ccc2)n1 | InChi: | InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(12-14)23-18-22-9-6-16(24-18)13-5-8-21-17(11-13)20-7-2-10-25/h1,3-6,8-9,11-12,25H,2,7,10H2,(H,20,21)(H,22,23,24) | Definition date: | 2021-09-20 | Last modified: | 2022-11-04 | Release date: | 2022-11-09 | Identifier: | 3-({4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl}amino)propan-1-ol |
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![I80 I80](https://data.pdbj.org/pdbjplus/data/cc/svg/I80.svg) | I80 | Name: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-{[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C24 H30 F3 N3 O6 | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)COc1ccc(OC(F)(F)F)cc1 | InChi: | InChI=1S/C24H30F3N3O6/c1-23(2)17-10-30(18(32)12-35-15-3-5-16(6-4-15)36-24(25,26)27)20(19(17)23)22(34)29-14(11-31)9-13-7-8-28-21(13)33/h3-6,13-14,17,19-20,31H,7-12H2,1-2H3,(H,28,33)(H,29,34)/t13-,14-,17-,19-,20-/m0/s1 | Definition date: | 2021-10-01 | Last modified: | 2022-11-04 | Release date: | 2022-11-09 | Identifier: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-{[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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![IFW IFW](https://data.pdbj.org/pdbjplus/data/cc/svg/IFW.svg) | IFW | Name: | (2~{R})-~{N}-[2-[4-[(2-acetamidophenoxy)methyl]-1,2,3-triazol-1-yl]ethyl]-2-(2-methylpropyl)-~{N}'-oxidanyl-propanediamide | Formula: | C20 H28 N6 O5 | SMILES: | CC(C)C[CH](C(=O)NO)C(=O)NCCn1cc(COc2ccccc2NC(C)=O)nn1 | InChi: | InChI=1S/C20H28N6O5/c1-13(2)10-16(20(29)24-30)19(28)21-8-9-26-11-15(23-25-26)12-31-18-7-5-4-6-17(18)22-14(3)27/h4-7,11,13,16,30H,8-10,12H2,1-3H3,(H,21,28)(H,22,27)(H,24,29)/t16-/m1/s1 | Definition date: | 2022-03-17 | Last modified: | 2022-11-04 | Release date: | 2022-11-09 | Identifier: | (2~{R})-~{N}-[2-[4-[(2-acetamidophenoxy)methyl]-1,2,3-triazol-1-yl]ethyl]-2-(2-methylpropyl)-~{N}'-oxidanyl-propanediamide |
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![IQ4 IQ4](https://data.pdbj.org/pdbjplus/data/cc/svg/IQ4.svg) | IQ4 | Name: | ~{N}-[3-[[3-[3-[3-[3-[(4-hydroxyphenyl)carbothioylamino]propanethioylamino]propanethioylamino]propylamino]-3-sulfanylidene-propyl]amino]-3-sulfanylidene-propyl]-4-oxidanyl-benzenecarbothioamide | Formula: | C29 H38 N6 O2 S6 | SMILES: | Oc1ccc(cc1)C(=S)NCCC(=S)NCCC(=S)NCCCNC(=S)CCNC(=S)CCNC(=S)c2ccc(O)cc2 | InChi: | InChI=1S/C29H38N6O2S6/c36-22-6-2-20(3-7-22)28(42)34-18-12-26(40)32-16-10-24(38)30-14-1-15-31-25(39)11-17-33-27(41)13-19-35-29(43)21-4-8-23(37)9-5-21/h2-9,36-37H,1,10-19H2,(H,30,38)(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,43) | Synonyms: | Closthioamide | Definition date: | 2022-04-06 | Last modified: | 2022-11-04 | Release date: | 2022-11-09 | Identifier: | ~{N}-[3-[[3-[3-[3-[3-[(4-hydroxyphenyl)carbothioylamino]propanethioylamino]propanethioylamino]propylamino]-3-sulfanylidene-propyl]amino]-3-sulfanylidene-propyl]-4-oxidanyl-benzenecarbothioamide |
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![K2O K2O](https://data.pdbj.org/pdbjplus/data/cc/svg/K2O.svg) | K2O | Name: | 6-azido-N-[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide | Formula: | C13 H23 N5 O4 | SMILES: | C[CH](O)[CH](NC(=O)[CH](C)NC(=O)CCCCCN=[N+]=[N-])C=O | InChi: | InChI=1S/C13H23N5O4/c1-9(13(22)17-11(8-19)10(2)20)16-12(21)6-4-3-5-7-15-18-14/h8-11,20H,3-7H2,1-2H3,(H,16,21)(H,17,22)/t9-,10-,11-/m1/s1 | Synonyms: | Beta-lactone antibacterial agent (open form) | Definition date: | 2022-05-17 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 6-azido-~{N}-[(2~{R})-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide |
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![V4X V4X](https://data.pdbj.org/pdbjplus/data/cc/svg/V4X.svg) | V4X | Name: | 3-oxo-3-(thiomorpholin-4-yl)propanenitrile | Formula: | C7 H10 N2 O S | SMILES: | O=C(CC#N)N1CCSCC1 | InChi: | InChI=1S/C7H10N2OS/c8-2-1-7(10)9-3-5-11-6-4-9/h1,3-6H2 | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 3-oxo-3-(thiomorpholin-4-yl)propanenitrile |
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![VKO VKO](https://data.pdbj.org/pdbjplus/data/cc/svg/VKO.svg) | VKO | Name: | 1-{[(2-methylphenyl)methyl]carbamoyl}cyclopropane-1-carboxylic acid | Formula: | C13 H15 N O3 | SMILES: | O=C(O)C1(CC1)C(=O)NCc1ccccc1C | InChi: | InChI=1S/C13H15NO3/c1-9-4-2-3-5-10(9)8-14-11(15)13(6-7-13)12(16)17/h2-5H,6-8H2,1H3,(H,14,15)(H,16,17) | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 1-{[(2-methylphenyl)methyl]carbamoyl}cyclopropane-1-carboxylic acid |
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![V5I V5I](https://data.pdbj.org/pdbjplus/data/cc/svg/V5I.svg) | V5I | Name: | 2-methyl-1-(2-methylphenyl)propan-2-amine | Formula: | C11 H17 N | SMILES: | NC(C)(C)Cc1ccccc1C | InChi: | InChI=1S/C11H17N/c1-9-6-4-5-7-10(9)8-11(2,3)12/h4-7H,8,12H2,1-3H3 | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 2-methyl-1-(2-methylphenyl)propan-2-amine |
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![W0R W0R](https://data.pdbj.org/pdbjplus/data/cc/svg/W0R.svg) | W0R | Name: | 3-[(2-methylpropyl)sulfanyl]-N-(pyridin-3-yl)propanamide | Formula: | C12 H18 N2 O S | SMILES: | O=C(Nc1cccnc1)CCSCC(C)C | InChi: | InChI=1S/C12H18N2OS/c1-10(2)9-16-7-5-12(15)14-11-4-3-6-13-8-11/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,14,15) | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 3-[(2-methylpropyl)sulfanyl]-N-(pyridin-3-yl)propanamide |
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![W0X W0X](https://data.pdbj.org/pdbjplus/data/cc/svg/W0X.svg) | W0X | Name: | 3-[(3-bromophenyl)methanesulfonyl]propanoic acid | Formula: | C10 H11 Br O4 S | SMILES: | Brc1cc(CS(=O)(=O)CCC(=O)O)ccc1 | InChi: | InChI=1S/C10H11BrO4S/c11-9-3-1-2-8(6-9)7-16(14,15)5-4-10(12)13/h1-3,6H,4-5,7H2,(H,12,13) | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 3-[(3-bromophenyl)methanesulfonyl]propanoic acid |
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![W2O W2O](https://data.pdbj.org/pdbjplus/data/cc/svg/W2O.svg) | W2O | Name: | D-phenylalaninamide | Formula: | C9 H12 N2 O | SMILES: | NC(Cc1ccccc1)C(N)=O | InChi: | InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m1/s1 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | D-phenylalaninamide |
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![W2U W2U](https://data.pdbj.org/pdbjplus/data/cc/svg/W2U.svg) | W2U | Name: | (2S)-2-phenoxypropanehydrazide | Formula: | C9 H12 N2 O2 | SMILES: | CC(Oc1ccccc1)C(=O)NN | InChi: | InChI=1S/C9H12N2O2/c1-7(9(12)11-10)13-8-5-3-2-4-6-8/h2-7H,10H2,1H3,(H,11,12)/t7-/m0/s1 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (2S)-2-phenoxypropanehydrazide |
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![V8T V8T](https://data.pdbj.org/pdbjplus/data/cc/svg/V8T.svg) | V8T | Name: | (1R)-1-{4-[(propan-2-yl)oxy]phenyl}ethan-1-amine | Formula: | C11 H17 N O | SMILES: | CC(C)Oc1ccc(cc1)C(C)N | InChi: | InChI=1S/C11H17NO/c1-8(2)13-11-6-4-10(5-7-11)9(3)12/h4-9H,12H2,1-3H3/t9-/m1/s1 | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (1R)-1-{4-[(propan-2-yl)oxy]phenyl}ethan-1-amine |
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![VOQ VOQ](https://data.pdbj.org/pdbjplus/data/cc/svg/VOQ.svg) | VOQ | Name: | N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2-dimethyl-L-alaninamide | Formula: | C11 H19 N3 O2 | SMILES: | CN(Cc1c(C)onc1C)C(=O)C(C)(C)N | InChi: | InChI=1S/C11H19N3O2/c1-7-9(8(2)16-13-7)6-14(5)10(15)11(3,4)12/h6,12H2,1-5H3 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2-dimethyl-L-alaninamide |
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![W50 W50](https://data.pdbj.org/pdbjplus/data/cc/svg/W50.svg) | W50 | Name: | (2S)-1-(2-bromophenoxy)-3-(pyrrolidin-1-yl)propan-2-ol | Formula: | C13 H18 Br N O2 | SMILES: | OC(COc1ccccc1Br)CN1CCCC1 | InChi: | InChI=1S/C13H18BrNO2/c14-12-5-1-2-6-13(12)17-10-11(16)9-15-7-3-4-8-15/h1-2,5-6,11,16H,3-4,7-10H2/t11-/m0/s1 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (2S)-1-(2-bromophenoxy)-3-(pyrrolidin-1-yl)propan-2-ol |
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![V9X V9X](https://data.pdbj.org/pdbjplus/data/cc/svg/V9X.svg) | V9X | Name: | 3-(1H-indol-3-yl)propanamide | Formula: | C11 H12 N2 O | SMILES: | NC(=O)CCc1c[NH]c2ccccc21 | InChi: | InChI=1S/C11H12N2O/c12-11(14)6-5-8-7-13-10-4-2-1-3-9(8)10/h1-4,7,13H,5-6H2,(H2,12,14) | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 3-(1H-indol-3-yl)propanamide |
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![W5L W5L](https://data.pdbj.org/pdbjplus/data/cc/svg/W5L.svg) | W5L | Name: | (2R)-1-amino-3-(4-chloro-3-methylphenoxy)propan-2-ol | Formula: | C10 H14 Cl N O2 | SMILES: | Cc1cc(OCC(O)CN)ccc1Cl | InChi: | InChI=1S/C10H14ClNO2/c1-7-4-9(2-3-10(7)11)14-6-8(13)5-12/h2-4,8,13H,5-6,12H2,1H3/t8-/m1/s1 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (2R)-1-amino-3-(4-chloro-3-methylphenoxy)propan-2-ol |
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![W63 W63](https://data.pdbj.org/pdbjplus/data/cc/svg/W63.svg) | W63 | Name: | (2S)-N-(3-chlorophenyl)-2-[(2-hydroxyethyl)sulfanyl]propanamide | Formula: | C11 H14 Cl N O2 S | SMILES: | Clc1cc(NC(=O)C(C)SCCO)ccc1 | InChi: | InChI=1S/C11H14ClNO2S/c1-8(16-6-5-14)11(15)13-10-4-2-3-9(12)7-10/h2-4,7-8,14H,5-6H2,1H3,(H,13,15)/t8-/m0/s1 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (2S)-N-(3-chlorophenyl)-2-[(2-hydroxyethyl)sulfanyl]propanamide |
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![W6C W6C](https://data.pdbj.org/pdbjplus/data/cc/svg/W6C.svg) | W6C | Name: | N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide | Formula: | C10 H17 N3 O3 | SMILES: | O=C(NC(C)COC)C=1CCC(=O)N(C)N=1 | InChi: | InChI=1S/C10H17N3O3/c1-7(6-16-3)11-10(15)8-4-5-9(14)13(2)12-8/h7H,4-6H2,1-3H3,(H,11,15)/t7-/m0/s1 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide |
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![W6L W6L](https://data.pdbj.org/pdbjplus/data/cc/svg/W6L.svg) | W6L | Name: | (3R)-3-amino-3-phenylpropanenitrile | Formula: | C9 H10 N2 | SMILES: | NC(CC#N)c1ccccc1 | InChi: | InChI=1S/C9H10N2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9H,6,11H2/t9-/m1/s1 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (3R)-3-amino-3-phenylpropanenitrile |
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![WOR WOR](https://data.pdbj.org/pdbjplus/data/cc/svg/WOR.svg) | WOR | Name: | N'-(2-hydroxy-5-methylphenyl)-N-methyl-N-(propan-2-yl)sulfuric diamide | Formula: | C11 H18 N2 O3 S | SMILES: | Oc1ccc(C)cc1NS(=O)(=O)N(C)C(C)C | InChi: | InChI=1S/C11H18N2O3S/c1-8(2)13(4)17(15,16)12-10-7-9(3)5-6-11(10)14/h5-8,12,14H,1-4H3 | Definition date: | 2022-10-06 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | N'-(2-hydroxy-5-methylphenyl)-N-methyl-N-(propan-2-yl)sulfuric diamide |
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![W6W W6W](https://data.pdbj.org/pdbjplus/data/cc/svg/W6W.svg) | W6W | Name: | N~3~-[(2-bromophenyl)methyl]-N~3~-methyl-beta-alaninamide | Formula: | C11 H15 Br N2 O | SMILES: | Brc1ccccc1CN(C)CCC(N)=O | InChi: | InChI=1S/C11H15BrN2O/c1-14(7-6-11(13)15)8-9-4-2-3-5-10(9)12/h2-5H,6-8H2,1H3,(H2,13,15) | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | N~3~-[(2-bromophenyl)methyl]-N~3~-methyl-beta-alaninamide |
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![VBO VBO](https://data.pdbj.org/pdbjplus/data/cc/svg/VBO.svg) | VBO | Name: | methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate | Formula: | C8 H10 N2 O4 | SMILES: | O=C(CCN1C=CC(=O)NC1=O)OC | InChi: | InChI=1S/C8H10N2O4/c1-14-7(12)3-5-10-4-2-6(11)9-8(10)13/h2,4H,3,5H2,1H3,(H,9,11,13) | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate |
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