![VUL VUL](https://data.pdbj.org/pdbjplus/data/cc/svg/VUL.svg) | VUL | Name: | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-decanoylsulfamate | Formula: | C20 H32 N6 O7 S | SMILES: | CCCCCCCCCC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C20H32N6O7S/c1-2-3-4-5-6-7-8-9-14(27)25-34(30,31)32-10-13-16(28)17(29)20(33-13)26-12-24-15-18(21)22-11-23-19(15)26/h11-13,16-17,20,28-29H,2-10H2,1H3,(H,25,27)(H2,21,22,23)/t13-,16-,17-,20-/m1/s1 | Definition date: | 2023-08-18 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-decanoylsulfamate |
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![KTO KTO](https://data.pdbj.org/pdbjplus/data/cc/svg/KTO.svg) | KTO | Name: | (2~{S})-2-azanyl-3-[(2~{R},3~{S})-2-oxidanyl-3-[[(1~{S},5~{R})-3-oxidanylidene-9-azabicyclo[3.3.1]nonan-9-yl]oxy]-1,2-dihydroindol-3-yl]propanal | Formula: | C19 H25 N3 O5 | SMILES: | N[CH](C[C]1(ON2[CH]3CCC[CH]2CC(=O)C3)[CH](O)Nc4ccccc14)C(O)=O | InChi: | InChI=1S/C19H25N3O5/c20-15(17(24)25)10-19(14-6-1-2-7-16(14)21-18(19)26)27-22-11-4-3-5-12(22)9-13(23)8-11/h1-2,6-7,11-12,15,18,21,26H,3-5,8-10,20H2,(H,24,25)/t11-,12+,15-,18+,19-/m0/s1 | Definition date: | 2016-05-12 | Last modified: | 2024-07-03 | Release date: | 2016-09-14 | Identifier: | (2~{S})-2-azanyl-3-[(2~{R},3~{S})-2-oxidanyl-3-[[(1~{S},5~{R})-3-oxidanylidene-9-azabicyclo[3.3.1]nonan-9-yl]oxy]-1,2-dihydroindol-3-yl]propanoic acid |
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![ZMX ZMX](https://data.pdbj.org/pdbjplus/data/cc/svg/ZMX.svg) | ZMX | Name: | (2M)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide | Formula: | C28 H24 N4 O3 | SMILES: | CC=1N(C)N(c2ccccc2)C(=O)C=1NC(=O)c1ccccc1c1ncc(o1)c1ccc(C)cc1 | InChi: | InChI=1S/C28H24N4O3/c1-18-13-15-20(16-14-18)24-17-29-27(35-24)23-12-8-7-11-22(23)26(33)30-25-19(2)31(3)32(28(25)34)21-9-5-4-6-10-21/h4-17H,1-3H3,(H,30,33) | Definition date: | 2023-06-29 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | (2M)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide |
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![YJU YJU](https://data.pdbj.org/pdbjplus/data/cc/svg/YJU.svg) | YJU | Name: | N-{2-[(1r,4r)-4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide | Formula: | C24 H27 F3 N4 O3 | SMILES: | FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1C(C)(C)O)C1CCC(CO)CC1 | InChi: | InChI=1S/C24H27F3N4O3/c1-23(2,34)17-11-19-15(12-31(30-19)16-8-6-14(13-32)7-9-16)10-20(17)29-22(33)18-4-3-5-21(28-18)24(25,26)27/h3-5,10-12,14,16,32,34H,6-9,13H2,1-2H3,(H,29,33)/t14-,16- | Definition date: | 2023-12-04 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | N-{2-[(1r,4r)-4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide |
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![YK0 YK0](https://data.pdbj.org/pdbjplus/data/cc/svg/YK0.svg) | YK0 | Name: | N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide | Formula: | C24 H21 F3 N4 O3 | SMILES: | FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1C(C)(C)O)c1ccc(CO)cc1 | InChi: | InChI=1S/C24H21F3N4O3/c1-23(2,34)17-11-19-15(12-31(30-19)16-8-6-14(13-32)7-9-16)10-20(17)29-22(33)18-4-3-5-21(28-18)24(25,26)27/h3-12,32,34H,13H2,1-2H3,(H,29,33) | Definition date: | 2023-12-04 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide |
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![ZO1 ZO1](https://data.pdbj.org/pdbjplus/data/cc/svg/ZO1.svg) | ZO1 | Name: | 3-(trifluoromethyl)benzaldehyde | Formula: | C8 H5 F3 O2 | SMILES: | FC(F)(F)c1cccc(C=O)c1 | InChi: | InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13) | Definition date: | 2021-05-12 | Last modified: | 2024-06-28 | Release date: | 2022-03-02 | Identifier: | 3-(trifluoromethyl)benzaldehyde |
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![G8I G8I](https://data.pdbj.org/pdbjplus/data/cc/svg/G8I.svg) | G8I | Name: | (2S)-2-hydroxy-3,3-dimethylbutanoic acid | Formula: | C6 H12 O3 | SMILES: | O=C(O)C(O)C(C)(C)C | InChi: | InChI=1S/C6H12O3/c1-6(2,3)4(7)5(8)9/h4,7H,1-3H3,(H,8,9)/t4-/m1/s1 | Definition date: | 2023-07-20 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | (2S)-2-hydroxy-3,3-dimethylbutanoic acid |
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![ZS9 ZS9](https://data.pdbj.org/pdbjplus/data/cc/svg/ZS9.svg) | ZS9 | Name: | dehydrocostus lactone, bound form | Formula: | C15 H20 O2 | SMILES: | C=C1CCC2C(C)C(=O)OC2C2C1CCC2=C | InChi: | InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h10-14H,1-2,4-7H2,3H3/t10-,11-,12+,13-,14+/m0/s1 | Definition date: | 2023-07-03 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | (3S,3aR,6aR,9aR,9bR)-3-methyl-6,9-dimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one |
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![2N2 2N2](https://data.pdbj.org/pdbjplus/data/cc/svg/2N2.svg) | 2N2 | Name: | 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-{[(6-oxohexyl)carbamothioyl]amino}benzoic acid | Formula: | C27 H26 N2 O7 S | SMILES: | O=CCCCCCNC(=S)Nc1ccc(c(C(=O)O)c1)C3c4c(Oc2c3ccc(O)c2)cc(O)cc4 | InChi: | InChI=1S/C27H26N2O7S/c30-16-6-9-19-22(13-16)36-23-14-17(31)7-10-20(23)25(19)18-8-5-15(12-21(18)26(34)35)29-27(37)28-11-3-1-2-4-24(32)33/h5-10,12-14,25,30-31H,1-4,11H2,(H,32,33)(H,34,35)(H2,28,29,37) | Definition date: | 2013-12-05 | Last modified: | 2024-06-28 | Release date: | 2014-02-26 | Identifier: | 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-{[(6-oxohexyl)carbamothioyl]amino}benzoic acid |
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![Y9T Y9T](https://data.pdbj.org/pdbjplus/data/cc/svg/Y9T.svg) | Y9T | Name: | N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | Formula: | C22 H25 F3 N4 O3 | SMILES: | FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1C(C)(C)O)CCC(C)(C)O | InChi: | InChI=1S/C22H25F3N4O3/c1-20(2,31)8-9-29-12-13-10-17(14(21(3,4)32)11-16(13)28-29)27-19(30)15-6-5-7-18(26-15)22(23,24)25/h5-7,10-12,31-32H,8-9H2,1-4H3,(H,27,30) | Definition date: | 2023-11-28 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
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![ZX4 ZX4](https://data.pdbj.org/pdbjplus/data/cc/svg/ZX4.svg) | ZX4 | Name: | 5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine | Formula: | C25 H32 N10 O6 S | SMILES: | O=C(O)C1CC(CCN1CCCc1c[NH]c2N=C(N)NC(=O)c21)SCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | InChi: | InChI=1S/C25H32N10O6S/c26-19-16-21(30-9-29-19)35(10-31-16)23-18(37)17(36)14(41-23)8-42-12-3-5-34(13(6-12)24(39)40)4-1-2-11-7-28-20-15(11)22(38)33-25(27)32-20/h7,9-10,12-14,17-18,23,36-37H,1-6,8H2,(H,39,40)(H2,26,29,30)(H4,27,28,32,33,38)/t12-,13-,14-,17-,18-,23-/m1/s1 | Definition date: | 2023-04-17 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | 5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine |
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![ZXW ZXW](https://data.pdbj.org/pdbjplus/data/cc/svg/ZXW.svg) | ZXW | Name: | 5'-O-[(S)-{[(R)-{[(R)-[(2-{[(2S)-2-amino-3-oxopropyl]amino}-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine | Formula: | C15 H24 N7 O15 P3 S | SMILES: | NC(CNC(CSP(OP(OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)(=O)O)(O)=O)=O)C=O | InChi: | InChI=1S/C15H24N7O15P3S/c16-6(15(26)27)1-18-8(23)3-41-40(32,33)37-39(30,31)36-38(28,29)34-2-7-10(24)11(25)14(35-7)22-5-21-9-12(17)19-4-20-13(9)22/h4-7,10-11,14,24-25H,1-3,16H2,(H,18,23)(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H2,17,19,20)/t6-,7+,10+,11+,14+/m0/s1 | Definition date: | 2018-01-18 | Last modified: | 2024-06-28 | Release date: | 2018-08-22 | Identifier: | 5'-O-[(S)-{[(R)-{[(R)-[(2-{[(2S)-2-amino-3-oxopropyl]amino}-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine |
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![XV9 XV9](https://data.pdbj.org/pdbjplus/data/cc/svg/XV9.svg) | XV9 | Name: | (phenylmethyl) ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[[iminomethyl-(phenylmethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate | Formula: | C36 H46 N6 O5 | SMILES: | CC[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C(=O)N[CH](Cc2ccccc2)C(=O)N(C)N(Cc3ccccc3)C=N)C(C)(C)C | InChi: | InChI=1S/C36H46N6O5/c1-6-29(39-35(46)47-24-28-20-14-9-15-21-28)32(43)40-31(36(2,3)4)33(44)38-30(22-26-16-10-7-11-17-26)34(45)41(5)42(25-37)23-27-18-12-8-13-19-27/h7-21,25,29-31,37H,6,22-24H2,1-5H3,(H,38,44)(H,39,46)(H,40,43)/b37-25-/t29-,30-,31+/m0/s1 | Definition date: | 2023-11-14 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | (phenylmethyl) ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[[iminomethyl-(phenylmethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate |
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![4M9 4M9](https://data.pdbj.org/pdbjplus/data/cc/svg/4M9.svg) | 4M9 | Name: | (4Z)-4-imino-4-[(4Z)-4-(1H-indol-3-ylmethylidene)-5-oxo-1-(2-oxoethyl)-4,5-dihydro-1H-imidazol-2-yl]butanamide | Formula: | C18 H17 N5 O4 | SMILES: | O=C1/C(N=C(N1CC=O)/C(CCC(=O)N)=N)=C/c2cnc3ccccc23 | InChi: | InChI=1S/C18H17N5O4/c19-12(5-6-15(20)24)17-22-14(18(27)23(17)9-16(25)26)7-10-8-21-13-4-2-1-3-11(10)13/h1-4,7-8,19,21H,5-6,9H2,(H2,20,24)(H,25,26)/b14-7-,19-12+ | Synonyms: | CHROMOPHORE (GLN-TRP-GLY) | Definition date: | 2015-04-15 | Last modified: | 2024-06-28 | Release date: | 2015-12-23 | Identifier: | (4Z)-4-imino-4-[(4Z)-4-(1H-indol-3-ylmethylidene)-5-oxo-1-(2-oxoethyl)-4,5-dihydro-1H-imidazol-2-yl]butanamide |
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![5VV 5VV](https://data.pdbj.org/pdbjplus/data/cc/svg/5VV.svg) | 5VV | Name: | N-carbamoyl-L-Asparagine | Formula: | C5 H8 N2 O5 | SMILES: | NC(=O)C[CH](NC(O)=O)C(O)=O | InChi: | InChI=1S/C5H8N2O5/c6-3(8)1-2(4(9)10)7-5(11)12/h2,7H,1H2,(H2,6,8)(H,9,10)(H,11,12)/t2-/m0/s1 | Definition date: | 2015-12-14 | Last modified: | 2024-06-28 | Release date: | 2016-05-18 | Identifier: | (2~{S})-4-azanyl-2-(carboxyamino)-4-oxidanylidene-butanoic acid |
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![GHO GHO](https://data.pdbj.org/pdbjplus/data/cc/svg/GHO.svg) | GHO | Name: | (1R)-1-hydroxyethane-1-sulfonic acid | Formula: | C2 H6 O4 S | SMILES: | CC(O)S(=O)(=O)O | InChi: | InChI=1S/C2H6O4S/c1-2(3)7(4,5)6/h2-3H,1H3,(H,4,5,6)/t2-/m1/s1 | Definition date: | 2023-07-20 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | (1R)-1-hydroxyethane-1-sulfonic acid |
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![GIW GIW](https://data.pdbj.org/pdbjplus/data/cc/svg/GIW.svg) | GIW | Name: | 1,3-dithiane-2-carboxylic acid | Formula: | C5 H8 O2 S2 | SMILES: | O=C(O)C1SCCCS1 | InChi: | InChI=1S/C5H8O2S2/c6-4(7)5-8-2-1-3-9-5/h5H,1-3H2,(H,6,7) | Definition date: | 2023-07-20 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | 1,3-dithiane-2-carboxylic acid |
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![GJM GJM](https://data.pdbj.org/pdbjplus/data/cc/svg/GJM.svg) | GJM | Name: | (2S)-oxane-2-carboxylic acid | Formula: | C6 H10 O3 | SMILES: | O=C(O)C1CCCCO1 | InChi: | InChI=1S/C6H10O3/c7-6(8)5-3-1-2-4-9-5/h5H,1-4H2,(H,7,8)/t5-/m0/s1 | Definition date: | 2023-07-20 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | (2S)-oxane-2-carboxylic acid |
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![A1ALE A1ALE](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ALE.svg) | A1ALE | Name: | (2S)-2-amino-7-(dimethylamino)-7-oxoheptanoic acid | Formula: | C9 H18 N2 O3 | SMILES: | NC(CCCCC(=O)N(C)C)C(=O)O | InChi: | InChI=1S/C9H18N2O3/c1-11(2)8(12)6-4-3-5-7(10)9(13)14/h7H,3-6,10H2,1-2H3,(H,13,14)/t7-/m0/s1 | Definition date: | 2024-04-08 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | (2S)-2-amino-7-(dimethylamino)-7-oxoheptanoic acid |
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![A1APA A1APA](https://data.pdbj.org/pdbjplus/data/cc/svg/A1APA.svg) | A1APA | Name: | cobicistat | Formula: | C40 H53 N7 O5 S2 | SMILES: | CC(C)c1nc(CN(C)C(=O)NC(CCN2CCOCC2)C(=O)NC(Cc2ccccc2)CCC(Cc2ccccc2)NC(=O)OCc2cncs2)cs1 | InChi: | InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1 | Synonyms: | (1,3-thiazol-5-yl)methyl {(2R,5R)-5-[(2S)-2-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamamido)-4-(morpholin-4-yl)butanamido]-1,6-diphenylhexan-2-yl}carbamate | Definition date: | 2024-04-20 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | (1,3-thiazol-5-yl)methyl {(2R,5R)-5-[(2S)-2-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamamido)-4-(morpholin-4-yl)butanamido]-1,6-diphenylhexan-2-yl}carbamate |
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![A1APE A1APE](https://data.pdbj.org/pdbjplus/data/cc/svg/A1APE.svg) | A1APE | Name: | (2R,3R,4R,5R)-3,4-diacetamido-5-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methoxy)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) | Formula: | C26 H38 N5 O21 P3 | SMILES: | O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2OCC(OCc3c(COP(=O)(O)O)cnc(C)c3O)C(NC(C)=O)C2NC(C)=O)C(O)C1O | InChi: | InChI=1S/C26H38N5O21P3/c1-11-21(35)15(14(6-27-11)7-48-53(39,40)41)8-46-16-9-47-25(20(29-13(3)33)19(16)28-12(2)32)51-55(44,45)52-54(42,43)49-10-17-22(36)23(37)24(50-17)31-5-4-18(34)30-26(31)38/h4-6,16-17,19-20,22-25,35-37H,7-10H2,1-3H3,(H,28,32)(H,29,33)(H,42,43)(H,44,45)(H,30,34,38)(H2,39,40,41)/t16-,17+,19-,20+,22+,23+,24+,25+/m0/s1 | Definition date: | 2024-04-22 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | (2R,3R,4R,5R)-3,4-diacetamido-5-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methoxy)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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![MAZ MAZ](https://data.pdbj.org/pdbjplus/data/cc/svg/MAZ.svg) | MAZ | Name: | FORMIC ACID 3-AMINO-BENZYL ESTER | Formula: | C8 H9 N O3 | SMILES: | O=COCc1cc(N)ccc1 | InChi: | InChI=1S/C8H9NO3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5,9H2,(H,10,11) | Synonyms: | META-AMINO BENZYLOCARBONYL | Definition date: | 2001-09-21 | Last modified: | 2024-06-28 | Identifier: | 3-aminobenzyl formate |
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![A1AUU A1AUU](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AUU.svg) | A1AUU | Name: | (4R)-4-[4-(5-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-2-one | Formula: | C19 H22 F N3 O2 | SMILES: | O=C(C1CC(=O)NCC1)N1CCC(CC1)c1c[NH]c2ccc(F)cc12 | InChi: | InChI=1S/C19H22FN3O2/c20-14-1-2-17-15(10-14)16(11-22-17)12-4-7-23(8-5-12)19(25)13-3-6-21-18(24)9-13/h1-2,10-13,22H,3-9H2,(H,21,24)/t13-/m1/s1 | Definition date: | 2024-06-10 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | (4R)-4-[4-(5-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-2-one |
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![A1D5B A1D5B](https://data.pdbj.org/pdbjplus/data/cc/svg/A1D5B.svg) | A1D5B | Name: | methyl (2~{S})-2,6-bis(azanyl)hexanoate | Formula: | C7 H16 N2 O2 | SMILES: | COC(=O)[CH](N)CCCCN | InChi: | InChI=1S/C7H16N2O2/c1-11-7(10)6(9)4-2-3-5-8/h6H,2-5,8-9H2,1H3/t6-/m0/s1 | Synonyms: | Methyl lysinate | Definition date: | 2024-01-02 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | methyl (2~{S})-2,6-bis(azanyl)hexanoate |
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![A1D5D A1D5D](https://data.pdbj.org/pdbjplus/data/cc/svg/A1D5D.svg) | A1D5D | Name: | (2~{S})-~{N}-[(4~{S})-6-azanyl-2,2,4-trimethyl-hexyl]-3-naphthalen-1-yl-2-[[2-phenylethyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanamide | Formula: | C38 H49 N5 O2 | SMILES: | C[CH](CCN)CC(C)(C)CNC(=O)[CH](Cc1cccc2ccccc12)NC(=O)N(CCc3ccccc3)CCc4ccccn4 | InChi: | InChI=1S/C38H49N5O2/c1-29(19-22-39)27-38(2,3)28-41-36(44)35(26-32-16-11-15-31-14-7-8-18-34(31)32)42-37(45)43(24-20-30-12-5-4-6-13-30)25-21-33-17-9-10-23-40-33/h4-18,23,29,35H,19-22,24-28,39H2,1-3H3,(H,41,44)(H,42,45)/t29-,35+/m1/s1 | Synonyms: | L797591 | Definition date: | 2024-01-03 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | (2~{S})-~{N}-[(4~{S})-6-azanyl-2,2,4-trimethyl-hexyl]-3-naphthalen-1-yl-2-[[2-phenylethyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanamide |
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