 | | A1D5E | | Name: | (2~{S},4~{R})-4-(2-azanylethylcarbamoyloxy)pyrrolidine-2-carboxylic acid | | Formula: | C8 H15 N3 O4 | | SMILES: | NCCNC(=O)O[CH]1CN[CH](C1)C(O)=O | | InChi: | InChI=1S/C8H15N3O4/c9-1-2-10-8(14)15-5-3-6(7(12)13)11-4-5/h5-6,11H,1-4,9H2,(H,10,14)(H,12,13)/t5-,6+/m1/s1 | | Synonyms: | 4-((((2-AMINOETHYL)AMINO)CARBONYL)OXY)-L-PROLINE, (4R)- | | Definition date: | 2024-01-04 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | (2~{S},4~{R})-4-(2-azanylethylcarbamoyloxy)pyrrolidine-2-carboxylic acid |
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 | | 0TJ | | Name: | N-(6-oxohexyl)-2-(4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetamide | | Formula: | C15 H15 Br4 N3 O3 | | SMILES: | O=CCCCCCNC(=O)Cn1c2c(Br)c(Br)c(Br)c(Br)c2nc1 | | InChi: | InChI=1S/C15H15Br4N3O3/c16-10-11(17)13(19)15-14(12(10)18)21-7-22(15)6-8(23)20-5-3-1-2-4-9(24)25/h7H,1-6H2,(H,20,23)(H,24,25) | | Definition date: | 2012-06-06 | | Last modified: | 2024-06-28 | | Release date: | 2012-10-12 | | Identifier: | N-(6-oxohexyl)-2-(4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetamide |
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 | | 2UC | | Name: | 1-[3-(2-oxoethyl)benzyl]guanidine | | Formula: | C10 H13 N3 O2 | | SMILES: | O=CCc1cccc(c1)CNC(=[N@H])N | | InChi: | InChI=1S/C10H13N3O2/c11-10(12)13-6-8-3-1-2-7(4-8)5-9(14)15/h1-4H,5-6H2,(H,14,15)(H4,11,12,13) | | Definition date: | 2014-02-07 | | Last modified: | 2024-06-28 | | Release date: | 2014-04-09 | | Identifier: | 1-[3-(2-oxoethyl)benzyl]guanidine |
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 | | 85L | | Name: | [[(2~{R})-2-azanyl-3-oxidanylidene-propyl]-(chloranylaurio)sulfanuidyl]-chloranyl-gold | | Formula: | C3 H6 Au2 Cl2 N O2 S | | SMILES: | N[CH](C[S-]([Au]Cl)[Au]Cl)C(O)=O | | InChi: | InChI=1S/C3H7NO2S.2Au.2ClH/c4-2(1-7)3(5)6 | | Definition date: | 2021-10-01 | | Last modified: | 2024-06-28 | | Release date: | 2023-04-19 | | Identifier: | [[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-(chloranylaurio)sulfanuidyl]-chloranyl-gold |
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 | | QCN | | Name: | (2~{S})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanal | | Formula: | C13 H19 N O3 | | SMILES: | CC(C)(C)c1cc(C[CH](N)C(O)=O)ccc1O | | InChi: | InChI=1S/C13H19NO3/c1-13(2,3)9-6-8(4-5-11(9)15)7-10(14)12(16)17/h4-6,10,15H,7,14H2,1-3H3,(H,16,17)/t10-/m0/s1 | | Definition date: | 2020-06-05 | | Last modified: | 2024-06-28 | | Release date: | 2021-06-30 | | Identifier: | (2~{S})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanoic acid |
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 | | QQB | | Name: | ~{N}-[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]methanamide | | Formula: | C14 H16 N2 O2 | | SMILES: | N[CH](CNC(O)=O)Cc1cccc2ccccc12 | | InChi: | InChI=1S/C14H16N2O2/c15-12(9-16-14(17)18)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12,16H,8-9,15H2,(H,17,18)/t12-/m0/s1 | | Definition date: | 2020-07-23 | | Last modified: | 2024-06-28 | | Release date: | 2021-06-09 | | Identifier: | [(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]carbamic acid |
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 | | ORT | | Name: | (4~{S})-4-azanyl-5-oxidanylidene-pentanehydrazide | | Formula: | C5 H11 N3 O3 | | SMILES: | NNC(=O)CC[CH](N)C(O)=O | | InChi: | InChI=1S/C5H11N3O3/c6-3(5(10)11)1-2-4(9)8-7/h3H,1-2,6-7H2,(H,8,9)(H,10,11)/t3-/m0/s1 | | Definition date: | 2020-04-01 | | Last modified: | 2024-06-28 | | Release date: | 2020-07-01 | | Identifier: | (2~{S})-2-azanyl-5-diazanyl-5-oxidanylidene-pentanoic acid |
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 | | SJW | | Name: | 3-pyridin-3-ylpropanal | | Formula: | C8 H9 N O2 | | SMILES: | OC(=O)CCc1cccnc1 | | InChi: | InChI=1S/C8H9NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2,(H,10,11) | | Definition date: | 2020-11-20 | | Last modified: | 2024-06-28 | | Release date: | 2021-12-01 | | Identifier: | 3-pyridin-3-ylpropanoic acid |
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 | | Q2E | | Name: | (2~{S})-2-azanyl-3-(2-methylsulfanyl-1~{H}-indol-3-yl)propanal | | Formula: | C12 H14 N2 O2 S | | SMILES: | CSc1[nH]c2ccccc2c1C[CH](N)C(O)=O | | InChi: | InChI=1S/C12H14N2O2S/c1-17-11-8(6-9(13)12(15)16)7-4-2-3-5-10(7)14-11/h2-5,9,14H,6,13H2,1H3,(H,15,16)/t9-/m0/s1 | | Definition date: | 2020-05-07 | | Last modified: | 2024-06-28 | | Release date: | 2021-05-19 | | Identifier: | (2~{S})-2-azanyl-3-(2-methylsulfanyl-1~{H}-indol-3-yl)propanoic acid |
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 | | Q8X | | Name: | (2~{R})-2-azanyl-3-[(6-pyridin-2-ylpyridin-3-yl)methylsulfanyl]propanal | | Formula: | C14 H15 N3 O2 S | | SMILES: | N[CH](CSCc1ccc(nc1)c2ccccn2)C(O)=O | | InChi: | InChI=1S/C14H15N3O2S/c15-11(14(18)19)9-20-8-10-4-5-13(17-7-10)12-3-1-2-6-16-12/h1-7,11H,8-9,15H2,(H,18,19)/t11-/m0/s1 | | Definition date: | 2022-07-20 | | Last modified: | 2024-06-28 | | Release date: | 2023-08-16 | | Identifier: | (2~{R})-2-azanyl-3-[(6-pyridin-2-ylpyridin-3-yl)methylsulfanyl]propanoic acid |
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 | | 9AC | | Name: | 9-ACRIDINECARBONYL | | Formula: | C14 H9 N O2 | | SMILES: | O=Cc1c3c(nc2c1cccc2)cccc3 | | InChi: | InChI=1S/C14H9NO2/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H,16,17) | | Synonyms: | 9-ACRIDINOYL | | Definition date: | 2000-11-10 | | Last modified: | 2024-06-28 | | Identifier: | acridine-9-carbaldehyde |
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 | | HHC | | Name: | ~{N}-[(2~{R})-2,3-bis(azanyl)-3-oxidanylidene-propyl]-2-[(4~{R})-4-methanoyl-4,5-dihydro-1,3-thiazol-2-yl]pyridine-4-carboxamide | | Formula: | C13 H15 N5 O4 S | | SMILES: | N[CH](CNC(=O)c1ccnc(c1)C2=N[CH](CS2)C(O)=O)C(N)=O | | InChi: | InChI=1S/C13H15N5O4S/c14-7(10(15)19)4-17-11(20)6-1-2-16-8(3-6)12-18-9(5-23-12)13(21)22/h1-3,7,9H,4-5,14H2,(H2,15,19)(H,17,20)(H,21,22)/t7-,9+/m1/s1 | | Definition date: | 2021-01-12 | | Last modified: | 2024-06-28 | | Release date: | 2021-04-14 | | Identifier: | (4~{R})-2-[4-[[(2~{R})-2,3-bis(azanyl)-3-oxidanylidene-propyl]carbamoyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
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 | | 9JC | | Name: | 4-(aminomethyl)-8-azanyl-quinoline-2-carbaldehyde | | Formula: | C11 H11 N3 O2 | | SMILES: | NCc1cc(nc2c(N)cccc12)C(O)=O | | InChi: | InChI=1S/C11H11N3O2/c12-5-6-4-9(11(15)16)14-10-7(6)2-1-3-8(10)13/h1-4H,5,12-13H2,(H,15,16) | | Definition date: | 2021-11-15 | | Last modified: | 2024-06-28 | | Release date: | 2023-09-27 | | Identifier: | 4-(aminomethyl)-8-azanyl-quinoline-2-carboxylic acid |
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 | | TUK | | Name: | 2-[2-[(1~{S})-1-azanyl-3-methylsulfanyl-propyl]-4-(1~{H}-indol-3-ylmethyl)-5-oxidanylidene-2~{H}-imidazol-1-yl]ethanal | | Formula: | C18 H22 N4 O3 S | | SMILES: | CSCC[CH](N)[CH]1N=C(Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O | | InChi: | InChI=1S/C18H22N4O3S/c1-26-7-6-13(19)17-21-15(18(25)22(17)10-16(23)24)8-11-9-20-14-5-3-2-4-12(11)14/h2-5,9,13,17,20H,6-8,10,19H2,1H3,(H,23,24)/t13-,17-/m0/s1 | | Definition date: | 2021-01-13 | | Last modified: | 2024-06-28 | | Release date: | 2022-03-02 | | Identifier: | 2-[2-[(1~{S})-1-azanyl-3-methylsulfanyl-propyl]-4-(1~{H}-indol-3-ylmethyl)-5-oxidanylidene-2~{H}-imidazol-1-yl]ethanoic acid |
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 | | CIV | | Name: | 2-[2-[(1~{S})-1,5-bis(azanyl)pentyl]-4-[(4-hydroxyphenyl)methyl]-5-oxidanylidene-imidazol-1-yl]ethanamide | | Formula: | C17 H23 N4 O4 | | SMILES: | NCCCCC(N)C=1N=C(Cc2ccc(O)cc2)C(=O)[N+]=1CC(N)=O | | InChi: | InChI=1S/C17H22N4O4/c18-8-2-1-3-13(19)16-20-14(17(25)21(16)10-15(23)24)9-11-4-6-12(22)7-5-11/h4-7,13H,1-3,8-10,18-19H2,(H-,22,23,24)/p+1/t13-/m0/s1 | | Synonyms: | CHROMOPHORE (LYS-TYR-GLY) | | Definition date: | 2021-11-22 | | Last modified: | 2024-06-28 | | Release date: | 2022-04-20 | | Identifier: | 3-(2-amino-2-oxoethyl)-2-[(1S)-1,5-diaminopentyl]-5-[(4-hydroxyphenyl)methyl]-4-oxo-4H-imidazol-3-ium |
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 | | 56J | | Name: | 3-(9H-fluoren-9-yl)propanal | | Formula: | C16 H14 O2 | | SMILES: | c1cc2c(cc1)c3c(C2CCC=O)cccc3 | | InChi: | InChI=1S/C16H14O2/c17-16(18)10-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,17,18) | | Definition date: | 2015-08-04 | | Last modified: | 2024-06-28 | | Release date: | 2016-08-17 | | Identifier: | 3-(9H-fluoren-9-yl)propanal |
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 | | O0B | | Name: | (2~{S},3~{S})-2-azanyl-5,5,5-tris(fluoranyl)-3-methyl-pentanal | | Formula: | C6 H10 F3 N O2 | | SMILES: | C[CH](CC(F)(F)F)[CH](N)C(O)=O | | InChi: | InChI=1S/C6H10F3NO2/c1-3(2-6(7,8)9)4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)/t3-,4-/m0/s1 | | Definition date: | 2020-01-13 | | Last modified: | 2024-06-28 | | Release date: | 2021-01-27 | | Identifier: | (2~{S},3~{S})-2-azanyl-5,5,5-tris(fluoranyl)-3-methyl-pentanoic acid |
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 | | O6H | | Name: | 2,4,6-trimethyl-L-phenylalanine | | Formula: | C12 H17 N O2 | | SMILES: | Cc1cc(C)c(C[CH](N)C(O)=O)c(C)c1 | | InChi: | InChI=1S/C12H17NO2/c1-7-4-8(2)10(9(3)5-7)6-11(13)12(14)15/h4-5,11H,6,13H2,1-3H3,(H,14,15)/t11-/m0/s1 | | Synonyms: | (2~{S})-2-azanyl-3-(2,4,6-trimethylphenyl)propanal | | Definition date: | 2020-02-13 | | Last modified: | 2024-06-28 | | Release date: | 2021-01-27 | | Identifier: | (2~{S})-2-azanyl-3-(2,4,6-trimethylphenyl)propanoic acid |
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 | | P5R | | Name: | 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol | | Formula: | C34 H70 O18 | | SMILES: | OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO | | InChi: | InChI=1S/C34H70O18/c35-1-3-37-5-7-39-9-11-41-13-15-43-17-19-45-21-23-47-25-27-49-29-31-51-33-34-52-32-30-50-28-26-48-24-22-46-20-18-44-16-14-42-12-10-40-8-6-38-4-2-36/h35-36H,1-34H2 | | Definition date: | 2023-08-22 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
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 | | P8R | | Name: | 1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane | | Formula: | C24 H50 O12 | | SMILES: | COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC | | InChi: | InChI=1S/C24H50O12/c1-25-3-5-27-7-9-29-11-13-31-15-17-33-19-21-35-23-24-36-22-20-34-18-16-32-14-12-30-10-8-28-6-4-26-2/h3-24H2,1-2H3 | | Definition date: | 2023-08-24 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | 1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane |
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 | | A1IA7 | | Name: | 5-oxidanyl-6-oxidanylidene-2-(4-phenylphenyl)-1H-pyrimidine-4-carboxylic acid | | Formula: | C17 H12 N2 O4 | | SMILES: | OC(=O)C1=C(O)C(=O)NC(=N1)c2ccc(cc2)c3ccccc3 | | InChi: | InChI=1S/C17H12N2O4/c20-14-13(17(22)23)18-15(19-16(14)21)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,20H,(H,22,23)(H,18,19,21) | | Definition date: | 2024-05-10 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | 5-oxidanyl-6-oxidanylidene-2-(4-phenylphenyl)-1~{H}-pyrimidine-4-carboxylic acid |
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 | | A1IA8 | | Name: | 2-[2-[4-(cyanomethyl)phenyl]phenyl]-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid | | Formula: | C19 H13 N3 O4 | | SMILES: | OC(=O)C1=C(O)C(=O)NC(=N1)c2ccccc2c3ccc(CC#N)cc3 | | InChi: | InChI=1S/C19H13N3O4/c20-10-9-11-5-7-12(8-6-11)13-3-1-2-4-14(13)17-21-15(19(25)26)16(23)18(24)22-17/h1-8,23H,9H2,(H,25,26)(H,21,22,24) | | Definition date: | 2024-05-10 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | 2-[2-[4-(cyanomethyl)phenyl]phenyl]-5-oxidanyl-6-oxidanylidene-1~{H}-pyrimidine-4-carboxylic acid |
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 | | A1IB1 | | Name: | 4-(phenylmethyl)piperidine | | Formula: | C12 H17 N | | SMILES: | C1CC(CCN1)Cc2ccccc2 | | InChi: | InChI=1S/C12H17N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2 | | Definition date: | 2024-05-20 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | 4-(phenylmethyl)piperidine |
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 | | A1IBD | | Name: | ~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide | | Formula: | C10 H16 N2 O2 S | | SMILES: | C[CH](N)CN[S](=O)(=O)c1ccc(C)cc1 | | InChi: | InChI=1S/C10H16N2O2S/c1-8-3-5-10(6-4-8)15(13,14)12-7-9(2)11/h3-6,9,12H,7,11H2,1-2H3/t9-/m0/s1 | | Definition date: | 2024-05-10 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | ~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide |
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 | | A1IBE | | Name: | ~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide | | Formula: | C9 H13 F N2 O3 S | | SMILES: | NC[CH](O)CN[S](=O)(=O)c1ccccc1F | | InChi: | InChI=1S/C9H13FN2O3S/c10-8-3-1-2-4-9(8)16(14,15)12-6-7(13)5-11/h1-4,7,12-13H,5-6,11H2/t7-/m0/s1 | | Definition date: | 2024-05-10 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | ~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide |
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