 | | XYG | | Name: | [(4Z)-2-[(1Z)-ETHANIMIDOYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID | | Formula: | C14 H13 N3 O4 | | SMILES: | O=C1C(N=C(C(=[N@H])C)N1CC(=O)O)=Cc2ccc(O)cc2 | | InChi: | InChI=1S/C14H13N3O4/c1-8(15)13-16-11(14(21)17(13)7-12(19)20)6-9-2-4-10(18)5-3-9/h2-6,15,18H,7H2,1H3,(H,19,20)/b11-6-,15-8+ | | Synonyms: | CHROMOPHORE (DECARBOXYLATED ASP-TYR-GLY) | | Definition date: | 2006-11-16 | | Last modified: | 2023-11-03 | | Identifier: | {(4Z)-2-[(1E)-ethanimidoyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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 | | ZHW | | Name: | (1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate | | Formula: | C9 H10 F N O3 S | | SMILES: | FS(=O)(=O)Oc1cccc2c1CCC2N | | InChi: | InChI=1S/C9H10FNO3S/c10-15(12,13)14-9-3-1-2-6-7(9)4-5-8(6)11/h1-3,8H,4-5,11H2/t8-/m1/s1 | | Definition date: | 2023-03-10 | | Last modified: | 2023-11-03 | | Release date: | 2023-07-05 | | Identifier: | (1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate |
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 | | USC | | Name: | 5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid | | Formula: | C9 H9 N O6 S | | SMILES: | O=S(=O)(Nc1cc(cc(c1)C(=O)O)C(=O)O)C | | InChi: | InChI=1S/C9H9NO6S/c1-17(15,16)10-7-3-5(8(11)12)2-6(4-7)9(13)14/h2-4,10H,1H3,(H,11,12)(H,13,14) | | Definition date: | 2011-12-08 | | Last modified: | 2023-11-03 | | Release date: | 2013-01-11 | | Identifier: | 5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid |
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 | | XYX | | Name: | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide | | Formula: | C24 H23 B N O5 | | SMILES: | CC(=O)c1ccc(cc1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2 | | InChi: | InChI=1S/C24H23BNO5/c1-16(27)17-8-10-18(11-9-17)20-5-3-7-22(14-20)26-23(28)13-12-19-4-2-6-21-15-31-25(29,30)24(19)21/h2-11,14,29-30H,12-13,15H2,1H3,(H,26,28)/q-1 | | Definition date: | 2023-06-09 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide |
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 | | 0QE | | Name: | chloromethane | | Formula: | C H3 Cl | | SMILES: | ClC | | InChi: | InChI=1S/CH3Cl/c1-2/h1H3 | | Synonyms: | Chloro Methyl group | | Definition date: | 2008-12-08 | | Last modified: | 2023-11-03 | | Identifier: | chloromethane |
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 | | ZIQ | | Name: | alpha-methyl-L-tryptophan | | Formula: | C12 H14 N2 O2 | | SMILES: | NC(C(O)=O)(Cc1cnc2c1cccc2)C | | InChi: | InChI=1S/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(H,15,16)/t12-/m0/s1 | | Definition date: | 2018-06-13 | | Last modified: | 2023-11-03 | | Release date: | 2020-01-01 | | Identifier: | alpha-methyl-L-tryptophan |
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 | | V7T | | Name: | (2R)-6-azanyl-2-carbamimidamido-hexanoic acid | | Formula: | C7 H16 N4 O2 | | SMILES: | NCCCC[CH](NC(N)=N)C(O)=O | | InChi: | InChI=1S/C7H16N4O2/c8-4-2-1-3-5(6(12)13)11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m1/s1 | | Definition date: | 2021-04-23 | | Last modified: | 2023-11-03 | | Release date: | 2022-04-06 | | Identifier: | (2~{R})-6-azanyl-2-carbamimidamido-hexanoic acid |
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 | | XZA | | Name: | diazanecarboxylic acid | | Formula: | C H4 N2 O2 | | SMILES: | NNC(O)=O | | InChi: | InChI=1S/CH4N2O2/c2-3-1(4)5/h3H,2H2,(H,4,5) | | Definition date: | 2016-06-03 | | Last modified: | 2023-11-03 | | Release date: | 2017-06-28 | | Identifier: | diazanecarboxylic acid |
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 | | ZZU | | Name: | (2S,3S)-3-HYDROXYARGININE | | Formula: | C6 H14 N4 O3 | | SMILES: | O=C(O)C(N)C(O)CCNC(=[N@H])N | | InChi: | InChI=1S/C6H14N4O3/c7-4(5(12)13)3(11)1-2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4-/m0/s1 | | Definition date: | 2009-03-02 | | Last modified: | 2023-11-03 | | Identifier: | (2S,3S)-2-amino-5-carbamimidamido-3-hydroxypentanoic acid (non-preferred name) |
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 | | KNU | | Name: | N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide | | Formula: | C10 H11 Cl F N O | | SMILES: | Fc1cc(cc(Cl)c1)C(C)NC(C)=O | | InChi: | InChI=1S/C10H11ClFNO/c1-6(13-7(2)14)8-3-9(11)5-10(12)4-8/h3-6H,1-2H3,(H,13,14)/t6-/m0/s1 | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide |
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 | | 0QZ | | Name: | D-Isoserine | | Formula: | C3 H7 N O3 | | SMILES: | O=C(O)C(O)CN | | InChi: | InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1 | | Synonyms: | (2R)-3-amino-2-hydroxypropanoic acid | | Definition date: | 2012-08-23 | | Last modified: | 2023-11-03 | | Release date: | 2014-05-07 | | Identifier: | (2R)-3-amino-2-hydroxypropanoic acid |
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 | | VNW | | Name: | 8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid | | Formula: | C11 H10 N2 O2 Se | | SMILES: | C[Se]c1cc(nc2c(N)cccc12)C(O)=O | | InChi: | InChI=1S/C11H10N2O2Se/c1-16-9-5-8(11(14)15)13-10-6(9)3-2-4-7(10)12/h2-5H,12H2,1H3,(H,14,15) | | Definition date: | 2023-09-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-10-11 | | Identifier: | 8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid |
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 | | WLU | | Name: | (4R)-5-hydroxy-N-methyl-L-leucine | | Formula: | C7 H15 N O3 | | SMILES: | O=C(O)C(NC)CC(C)CO | | InChi: | InChI=1S/C7H15NO3/c1-5(4-9)3-6(8-2)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1 | | Definition date: | 2013-06-18 | | Last modified: | 2023-11-03 | | Release date: | 2013-09-18 | | Identifier: | (4R)-5-hydroxy-N-methyl-L-leucine |
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 | | XZP | | Name: | (1R,2R)-2-aminocyclopentane-1-carboxylic acid | | Formula: | C6 H11 N O2 | | SMILES: | O=C(C1CCCC1N)O | | InChi: | InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m1/s1 | | Definition date: | 2017-05-18 | | Last modified: | 2023-11-03 | | Release date: | 2018-02-21 | | Identifier: | (1R,2R)-2-aminocyclopentane-1-carboxylic acid |
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 | | YHA | | Name: | Homocitrulline | | Formula: | C7 H15 N3 O3 | | SMILES: | NC(CCCCNC(N)=O)C(=O)O | | InChi: | InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1 | | Synonyms: | N~6~-carbamoyl-L-lysine | | Definition date: | 2021-03-04 | | Last modified: | 2023-11-03 | | Release date: | 2022-05-25 | | Identifier: | N~6~-carbamoyl-L-lysine |
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 | | KO9 | | Name: | N-(5-cyanopyridin-3-yl)-2-(pyridin-3-yl)acetamide | | Formula: | C13 H10 N4 O | | SMILES: | O=C(Nc1cc(cnc1)C#N)Cc1cccnc1 | | InChi: | InChI=1S/C13H10N4O/c14-6-11-4-12(9-16-8-11)17-13(18)5-10-2-1-3-15-7-10/h1-4,7-9H,5H2,(H,17,18) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(5-cyanopyridin-3-yl)-2-(pyridin-3-yl)acetamide |
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 | | VO8 | | Name: | 5-(2-{2-[2-oxo-3-(prop-2-enoyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethoxy}phenoxy)naphthalene-2-carbonitrile | | Formula: | C29 H23 N3 O4 | | SMILES: | N#Cc1ccc2c(c1)cccc2Oc1ccccc1OCCN1c2ccccc2N(C(=O)CC)C1=O | | InChi: | InChI=1S/C29H23N3O4/c1-2-28(33)32-24-10-4-3-9-23(24)31(29(32)34)16-17-35-26-11-5-6-12-27(26)36-25-13-7-8-21-18-20(19-30)14-15-22(21)25/h3-15,18H,2,16-17H2,1H3 | | Definition date: | 2023-09-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 5-{2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile |
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 | | KOI | | Name: | 2-(3-chlorophenyl)-N-(pyridin-3-yl)acetamide | | Formula: | C13 H11 Cl N2 O | | SMILES: | O=C(Nc1cccnc1)Cc1cccc(Cl)c1 | | InChi: | InChI=1S/C13H11ClN2O/c14-11-4-1-3-10(7-11)8-13(17)16-12-5-2-6-15-9-12/h1-7,9H,8H2,(H,16,17) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-(pyridin-3-yl)acetamide |
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 | | VOI | | Name: | 3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide | | Formula: | C20 H19 N3 O3 | | SMILES: | CN(C)C(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C#N | | InChi: | InChI=1S/C20H19N3O3/c1-22(2)20(24)9-11-25-18-6-3-4-7-19(18)26-17-8-5-10-23-14-15(13-21)12-16(17)23/h3-8,10,12,14H,9,11H2,1-2H3 | | Definition date: | 2023-09-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide |
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 | | VOL | | Name: | L-VALINOL | | Formula: | C5 H13 N O | | SMILES: | OCC(N)C(C)C | | InChi: | InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1 | | Definition date: | 2002-06-26 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-amino-3-methylbutan-1-ol |
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 | | UU4 | | Name: | (2S)-2-amino-4-(L-serylamino)butanoic acid | | Formula: | C7 H15 N3 O4 | | SMILES: | O=C(NCCC(C(=O)O)N)C(N)CO | | InChi: | InChI=1S/C7H15N3O4/c8-4(7(13)14)1-2-10-6(12)5(9)3-11/h4-5,11H,1-3,8-9H2,(H,10,12)(H,13,14)/t4-,5-/m0/s1 | | Definition date: | 2012-11-14 | | Last modified: | 2023-11-03 | | Release date: | 2013-08-21 | | Identifier: | (2S)-2-amino-4-(L-serylamino)butanoic acid |
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 | | UU5 | | Name: | (2S)-2-amino-4-[(oxoacetyl)amino]butanoic acid | | Formula: | C6 H10 N2 O4 | | SMILES: | O=C(O)C(N)CCNC(=O)C=O | | InChi: | InChI=1S/C6H10N2O4/c7-4(6(11)12)1-2-8-5(10)3-9/h3-4H,1-2,7H2,(H,8,10)(H,11,12)/t4-/m0/s1 | | Definition date: | 2012-11-12 | | Last modified: | 2023-11-03 | | Release date: | 2013-08-21 | | Identifier: | (2S)-2-amino-4-[(oxoacetyl)amino]butanoic acid |
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 | | VOU | | Name: | (4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile | | Formula: | C22 H21 N3 O3 | | SMILES: | O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc21)N1CCCC1 | | InChi: | InChI=1S/C22H21N3O3/c23-15-17-14-18-19(8-5-12-25(18)16-17)28-21-7-2-1-6-20(21)27-13-9-22(26)24-10-3-4-11-24/h1-2,5-8,12,14,16H,3-4,9-11,13H2 | | Definition date: | 2023-09-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile |
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 | | KP0 | | Name: | N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea | | Formula: | C20 H24 Cl N3 O | | SMILES: | O=C(Nc1cccnc1)N(CCC1CCCCC1)c1cccc(Cl)c1 | | InChi: | InChI=1S/C20H24ClN3O/c21-17-8-4-10-19(14-17)24(13-11-16-6-2-1-3-7-16)20(25)23-18-9-5-12-22-15-18/h4-5,8-10,12,14-16H,1-3,6-7,11,13H2,(H,23,25) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea |
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 | | VP2 | | Name: | 3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide | | Formula: | C20 H17 F2 N3 O3 | | SMILES: | FC(F)CNC(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C#N | | InChi: | InChI=1S/C20H17F2N3O3/c21-19(22)12-24-20(26)7-9-27-17-4-1-2-5-18(17)28-16-6-3-8-25-13-14(11-23)10-15(16)25/h1-6,8,10,13,19H,7,9,12H2,(H,24,26) | | Definition date: | 2023-09-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide |
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