| ISN | Name: | ISATIN | Formula: | C8 H5 N O2 | SMILES: | O=C2c1ccccc1NC2=O | InChi: | InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11) | Definition date: | 2003-07-08 | Last modified: | 2024-09-27 | Identifier: | 1H-indole-2,3-dione |
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| YMD | Name: | (1R,2S)-2-((S)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | Formula: | C22 H39 N3 O8 S | SMILES: | CC(C)CC(NC(=O)OC1CCC(C)(C)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C22H39N3O8S/c1-13(2)11-16(25-21(29)33-15-5-8-22(3,4)9-6-15)19(27)24-17(20(28)34(30,31)32)12-14-7-10-23-18(14)26/h13-17,20,28H,5-12H2,1-4H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t14-,16-,17-,20+/m0/s1 | Definition date: | 2021-03-12 | Last modified: | 2024-09-27 | Release date: | 2021-03-24 | Identifier: | (1R,2S)-2-[(N-{[(4,4-dimethylcyclohexyl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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| SZR | Name: | (2R)-4-cyano-2-hydroxybutanoic acid | Formula: | C5 H7 N O3 | SMILES: | O=C(O)C(O)CCC#N | InChi: | InChI=1S/C5H7NO3/c6-3-1-2-4(7)5(8)9/h4,7H,1-2H2,(H,8,9)/t4-/m1/s1 | Definition date: | 2022-07-13 | Last modified: | 2024-09-27 | Release date: | 2023-05-24 | Identifier: | (2R)-4-cyano-2-hydroxybutanoic acid |
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| SLR | Name: | (3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline | Formula: | C10 H17 N O5 | SMILES: | O=C1NC(C(=O)O)(C(O)C1C)C(O)C(C)C | InChi: | InChI=1S/C10H17NO5/c1-4(2)6(12)10(9(15)16)7(13)5(3)8(14)11-10/h4-7,12-13H,1-3H3,(H,11,14)(H,15,16)/t5-,6+,7-,10-/m1/s1 | Definition date: | 2008-07-29 | Last modified: | 2024-09-27 | Identifier: | (3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline |
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| ISP | Name: | PHOSPHORYLISOPROPANE | Formula: | C3 H9 O4 P | SMILES: | O=P(O)(O)OC(C)C | InChi: | InChI=1S/C3H9O4P/c1-3(2)7-8(4,5)6/h3H,1-2H3,(H2,4,5,6) | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | 1-methylethyl dihydrogen phosphate |
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| S6F | Name: | ~{N}-[(2~{S})-1-(2-chlorophenyl)-3-oxidanylidene-propan-2-yl]ethanamide | Formula: | C11 H12 Cl N O2 | SMILES: | CC(=O)N[CH](Cc1ccccc1Cl)C=O | InChi: | InChI=1S/C11H12ClNO2/c1-8(15)13-10(7-14)6-9-4-2-3-5-11(9)12/h2-5,7,10H,6H2,1H3,(H,13,15)/t10-/m0/s1 | Definition date: | 2022-12-13 | Last modified: | 2024-09-27 | Release date: | 2022-12-21 | Identifier: | ~{N}-[(2~{S})-1-(2-chlorophenyl)-3-oxidanylidene-propan-2-yl]ethanamide |
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| 3ZL | Name: | N~6~-[(1Z)-4-amino-3-oxopenta-1,4-dien-1-yl]-L-lysine | Formula: | C11 H19 N3 O3 | SMILES: | O=C(O)C(N)CCCCN/C=CC(=O)C(=C)/N | InChi: | InChI=1S/C11H19N3O3/c1-8(12)10(15)5-7-14-6-3-2-4-9(13)11(16)17/h5,7,9,14H,1-4,6,12-13H2,(H,16,17)/b7-5-/t9-/m0/s1 | Definition date: | 2014-12-15 | Last modified: | 2024-09-27 | Release date: | 2015-01-14 | Identifier: | N~6~-[(1Z)-4-amino-3-oxopenta-1,4-dien-1-yl]-L-lysine |
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| WRZ | Name: | N-[(2,4-dichlorophenyl)methyl]-4-propanamidobenzamide | Formula: | C17 H16 Cl2 N2 O2 | SMILES: | Clc1cc(Cl)ccc1CNC(=O)c1ccc(NC(=O)CC)cc1 | InChi: | InChI=1S/C17H16Cl2N2O2/c1-2-16(22)21-14-7-4-11(5-8-14)17(23)20-10-12-3-6-13(18)9-15(12)19/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22) | Definition date: | 2023-10-10 | Last modified: | 2024-09-27 | Release date: | 2024-06-26 | Identifier: | N-[(2,4-dichlorophenyl)methyl]-4-propanamidobenzamide |
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| YMG | Name: | (1S,2S)-2-((S)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | Formula: | C22 H39 N3 O8 S | SMILES: | CC(C)CC(NC(=O)OC1CCC(C)(C)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C22H39N3O8S/c1-13(2)11-16(25-21(29)33-15-5-8-22(3,4)9-6-15)19(27)24-17(20(28)34(30,31)32)12-14-7-10-23-18(14)26/h13-17,20,28H,5-12H2,1-4H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t14-,16-,17-,20-/m0/s1 | Definition date: | 2021-03-12 | Last modified: | 2024-09-27 | Release date: | 2021-03-24 | Identifier: | (1S,2S)-2-[(N-{[(4,4-dimethylcyclohexyl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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| ISS | Name: | (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal | Formula: | C7 H11 N O3 | SMILES: | O=C(CN/C=C/C=O)CCO | InChi: | InChI=1S/C7H11NO3/c9-4-1-3-8-6-7(11)2-5-10/h1,3-4,8,10H,2,5-6H2/b3-1+ | Definition date: | 2007-10-24 | Last modified: | 2024-09-27 | Identifier: | (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal |
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| Y56 | Name: | 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide | Formula: | C34 H36 N8 O2 | SMILES: | CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N1CCC(C1)Nc1nccc(n1)c1c2ccccn2nc1c1ccccc1 | InChi: | InChI=1S/C34H36N8O2/c1-40(2)20-8-12-30(43)36-26-15-13-25(14-16-26)33(44)41-22-18-27(23-41)37-34-35-19-17-28(38-34)31-29-11-6-7-21-42(29)39-32(31)24-9-4-3-5-10-24/h3-7,9-11,13-17,19,21,27H,8,12,18,20,22-23H2,1-2H3,(H,36,43)(H,35,37,38)/t27-/m0/s1 | Definition date: | 2021-10-12 | Last modified: | 2024-09-27 | Release date: | 2023-06-28 | Identifier: | 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide |
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| TEM | Name: | N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-TRANSPROPENYL)AMINE | Formula: | C7 H11 N O3 | SMILES: | O=CC=CNCC(O)CC=O | InChi: | InChI=1S/C7H11NO3/c9-4-1-3-8-6-7(11)2-5-10/h1,3-5,7-8,11H,2,6H2/b3-1+/t7-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | (3R)-3-hydroxy-4-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanal |
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| Y57 | Name: | N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine | Formula: | C17 H28 N2 O2 | SMILES: | C(C)(C)N(CCCCC(N)C(=O)O)CCc1ccccc1 | InChi: | InChI=1S/C17H28N2O2/c1-14(2)19(12-7-6-10-16(18)17(20)21)13-11-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3,(H,20,21)/t16-/m0/s1 | Definition date: | 2021-02-04 | Last modified: | 2024-09-27 | Release date: | 2021-12-15 | Identifier: | N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine |
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| X8R | Name: | 1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one | Formula: | C10 H16 N2 O2 | SMILES: | CC(=O)N1C2CC3CC1CC(C2)N3O | InChi: | InChI=1S/C10H16N2O2/c1-6(13)11-7-2-9-4-8(11)5-10(3-7)12(9)14/h7-10,14H,2-5H2,1H3/t7-,8+,9-,10+ | Definition date: | 2022-11-07 | Last modified: | 2024-09-27 | Release date: | 2023-02-15 | Identifier: | 1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one |
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| YMJ | Name: | (1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | Formula: | C23 H41 N3 O8 S | SMILES: | CC(C)CC(NC(=O)OC1CCC(CCC)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C23H41N3O8S/c1-4-5-15-6-8-17(9-7-15)34-23(30)26-18(12-14(2)3)21(28)25-19(22(29)35(31,32)33)13-16-10-11-24-20(16)27/h14-19,22,29H,4-13H2,1-3H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/t15-,16-,17-,18-,19-,22+/m0/s1 | Definition date: | 2021-03-12 | Last modified: | 2024-09-27 | Release date: | 2021-03-24 | Identifier: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1s,4S)-4-propylcyclohexyl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid |
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| ISW | Name: | {3,3'-[(9S)-8,13-diethenyl-3,7,12,17-tetramethyl-9,10-dihydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron | Formula: | C34 H34 Fe N4 O4 | SMILES: | O=C(O)CCC3=C(C4=Cc1n6c(c(c1C=C)C)CC2N5=C(C(=C2C=C)C)C=C7C(=C(C8=CC3=N4[Fe]56N78)CCC(=O)O)C)C | InChi: | InChI=1S/C34H36N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25 | Synonyms: | Isoporphyrin containing Fe | Definition date: | 2011-06-02 | Last modified: | 2024-09-27 | Release date: | 2013-09-04 | Identifier: | {3,3'-[(9S)-8,13-diethenyl-3,7,12,17-tetramethyl-9,10-dihydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron |
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| U88 | Name: | 5-nitro-1,3-thiazole | Formula: | C3 H2 N2 O2 S | SMILES: | O=[N](=O)c1scnc1 | InChi: | InChI=1S/C3H2N2O2S/c6-5(7)3-1-4-2-8-3/h1-2H | Synonyms: | halicin | Definition date: | 2021-01-28 | Last modified: | 2024-09-27 | Release date: | 2021-03-03 | Identifier: | 5-nitro-1,3-thiazole |
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| 3ZQ | Name: | (1S,2S)-cyclohexane-1,2-diol | Formula: | C6 H12 O2 | SMILES: | OC1CCCCC1O | InChi: | InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m0/s1 | Definition date: | 2014-12-18 | Last modified: | 2024-09-27 | Release date: | 2015-07-15 | Identifier: | (1S,2S)-cyclohexane-1,2-diol |
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| XOK | Name: | (2~{S})-2-azanyl-6-[[(6~{S})-6-sulfanyloctanoyl]amino]hexanoic acid | Formula: | C14 H28 N2 O3 S | SMILES: | CC[CH](S)CCCCC(=O)NCCCC[CH](N)C(O)=O | InChi: | InChI=1S/C14H28N2O3S/c1-2-11(20)7-3-4-9-13(17)16-10-6-5-8-12(15)14(18)19/h11-12,20H,2-10,15H2,1H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1 | Definition date: | 2015-11-24 | Last modified: | 2024-09-27 | Release date: | 2016-08-10 | Identifier: | (2~{S})-2-azanyl-6-[[(6~{S})-6-sulfanyloctanoyl]amino]hexanoic acid |
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| YML | Name: | [(3R,4S,5S,7R)-4,8-DIHYDROXY-3,5,7-TRIMETHYL-2-OXOOCTYL]PHOSPHONIC ACID | Formula: | C11 H23 O5 P | SMILES: | O=C(C(C(O)C(C)CC(C)CO)C)CP(=O)O | InChi: | InChI=1S/C11H23O5P/c1-7(5-12)4-8(2)11(14)9(3)10(13)6-17(15)16/h7-9,11-12,14,17H,4-6H2,1-3H3,(H,15,16)/t7-,8+,9+,11+/m1/s1 | Definition date: | 2006-06-26 | Last modified: | 2024-09-27 | Identifier: | (R)-[(3R,4S,5S,7R)-4,8-dihydroxy-3,5,7-trimethyl-2-oxooctyl]phosphinic acid |
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| VUZ | Name: | ~{N}-[3-[[6-chloranyl-2-[(1-ethylpyrazol-4-yl)amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide | Formula: | C22 H20 Cl N7 O | SMILES: | CCn1cc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)c4cc(Cl)ccc4n2)cn1 | InChi: | InChI=1S/C22H20ClN7O/c1-3-20(31)25-15-6-5-7-16(11-15)26-21-18-10-14(23)8-9-19(18)28-22(29-21)27-17-12-24-30(4-2)13-17/h3,5-13H,1,4H2,2H3,(H,25,31)(H2,26,27,28,29) | Definition date: | 2023-08-21 | Last modified: | 2024-09-27 | Release date: | 2024-08-21 | Identifier: | ~{N}-[3-[[6-chloranyl-2-[(1-ethylpyrazol-4-yl)amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide |
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| YMM | Name: | (1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | Formula: | C23 H41 N3 O8 S | SMILES: | CC(C)CC(NC(=O)OC1CCC(CCC)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C23H41N3O8S/c1-4-5-15-6-8-17(9-7-15)34-23(30)26-18(12-14(2)3)21(28)25-19(22(29)35(31,32)33)13-16-10-11-24-20(16)27/h14-19,22,29H,4-13H2,1-3H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/t15-,16-,17-,18-,19-,22-/m0/s1 | Definition date: | 2021-03-12 | Last modified: | 2024-09-27 | Release date: | 2021-03-24 | Identifier: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1s,4S)-4-propylcyclohexyl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid |
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| 3ZR | Name: | diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate | Formula: | C28 H39 Cl N3 O8 P | SMILES: | O=C1N=CC=C1CC(NC(=O)C(NC(=O)OCc2cccc(Cl)c2)CC3CCCCC3)C(O)P(=O)(OCC)OCC | InChi: | InChI=1S/C28H39ClN3O8P/c1-3-39-41(37,40-4-2)27(35)24(17-21-13-14-30-25(21)33)31-26(34)23(16-19-9-6-5-7-10-19)32-28(36)38-18-20-11-8-12-22(29)15-20/h8,11-15,19,23-24,27,35H,3-7,9-10,16-18H2,1-2H3,(H,31,34)(H,32,36)/t23-,24-,27?/m0/s1 | Definition date: | 2014-12-18 | Last modified: | 2024-09-27 | Release date: | 2015-03-25 | Identifier: | diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate |
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| SLZ | Name: | L-THIALYSINE | Formula: | C5 H12 N2 O2 S | SMILES: | O=C(O)C(N)CSCCN | InChi: | InChI=1S/C5H12N2O2S/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | S-(2-aminoethyl)-L-cysteine |
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| Y5F | Name: | 2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide | Formula: | C13 H7 Cl N4 O3 | SMILES: | O=C(Nc1cc(cnc1)C#N)c1cc(ccc1Cl)[N+]([O-])=O | InChi: | InChI=1S/C13H7ClN4O3/c14-12-2-1-10(18(20)21)4-11(12)13(19)17-9-3-8(5-15)6-16-7-9/h1-4,6-7H,(H,17,19) | Definition date: | 2023-01-05 | Last modified: | 2024-09-27 | Release date: | 2024-04-17 | Identifier: | 2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide |
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