 | | 54I | | Name: | (3E)-3-(hydroxyimino)propanoic acid | | Formula: | C3 H5 N O3 | | SMILES: | O=C(O)CC=NO | | InChi: | InChI=1S/C3H5NO3/c5-3(6)1-2-4-7/h2,7H,1H2,(H,5,6)/b4-2+ | | Definition date: | 2021-07-15 | | Last modified: | 2021-11-26 | | Release date: | 2021-12-01 | | Identifier: | (3E)-3-(hydroxyimino)propanoic acid |
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 | | 48J | | Name: | dihydroxyacetic acid | | Formula: | C2 H4 O4 | | SMILES: | O=C(O)C(O)O | | InChi: | InChI=1S/C2H4O4/c3-1(4)2(5)6/h1,3-4H,(H,5,6) | | Synonyms: | glyoxylate hydrate | | Definition date: | 2021-07-08 | | Last modified: | 2021-11-26 | | Release date: | 2021-12-01 | | Identifier: | dihydroxyacetic acid |
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 | | TI3 | | Name: | [(2S)-2-SULFANYL-3-PHENYLPROPANOYL]-GLY-(5-PHENYLPROLINE) | | Formula: | C22 H24 N2 O4 S | | SMILES: | O=C(N2C(C(=O)O)CCC2c1ccccc1)CNC(=O)C(S)Cc3ccccc3 | | InChi: | InChI=1S/C22H24N2O4S/c25-20(14-23-21(26)19(29)13-15-7-3-1-4-8-15)24-17(11-12-18(24)22(27)28)16-9-5-2-6-10-16/h1-10,17-19,29H,11-14H2,(H,23,26)(H,27,28)/t17-,18+,19+/m1/s1 | | Synonyms: | RB106 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | N-[(2S)-3-phenyl-2-sulfanylpropanoyl]glycyl-(5R)-5-phenyl-L-proline |
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 | | UQA | | Name: | 5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione | | Formula: | C12 H12 N2 O3 | | SMILES: | CCC1(C(NC(=O)NC1=O)=O)c2ccccc2 | | InChi: | InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17) | | Synonyms: | Phenobarbital | | Definition date: | 2020-05-27 | | Last modified: | 2021-03-01 | | Release date: | 2020-09-09 | | Identifier: | 5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione |
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 | | MGJ | | Name: | N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-N-methyl-L-histidinamide | | Formula: | C20 H27 N5 O4 | | SMILES: | O=C(O)CN(CCCc1ccccc1)CC(=O)NC(C(=O)NC)Cc2ncnc2 | | InChi: | InChI=1S/C20H27N5O4/c1-21-20(29)17(10-16-11-22-14-23-16)24-18(26)12-25(13-19(27)28)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,11,14,17H,5,8-10,12-13H2,1H3,(H,21,29)(H,22,23)(H,24,26)(H,27,28)/t17-/m0/s1 | | Synonyms: | [{[(S)-2-(1H-Imidazol-4-yl)-1-methylcarbamoyl-ethylcarbamoyl]-methyl}-(3-phenyl-propyl)-amino]-acetic acid | | Definition date: | 2011-04-19 | | Last modified: | 2021-03-01 | | Release date: | 2013-08-28 | | Identifier: | N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-N-methyl-L-histidinamide |
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 | | S4V | | Name: | ~{N}2-pyridin-2-ylbenzene-1,2-diamine | | Formula: | C11 H11 N3 | | SMILES: | Nc1ccccc1Nc2ccccn2 | | InChi: | InChI=1S/C11H11N3/c12-9-5-1-2-6-10(9)14-11-7-3-4-8-13-11/h1-8H,12H2,(H,13,14) | | Definition date: | 2020-03-04 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | ~{N}2-pyridin-2-ylbenzene-1,2-diamine |
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 | | JWQ | | Name: | (~{E})-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-~{N}-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide | | Formula: | C14 H9 F3 N4 O3 S | | SMILES: | COc1cc(ccc1O)C=C(C#N)C(=O)Nc2sc(nn2)C(F)(F)F | | InChi: | InChI=1S/C14H9F3N4O3S/c1-24-10-5-7(2-3-9(10)22)4-8(6-18)11(23)19-13-21-20-12(25-13)14(15,16)17/h2-5,22H,1H3,(H,19,21,23)/b8-4+ | | Definition date: | 2019-04-09 | | Last modified: | 2020-04-03 | | Release date: | 2020-04-08 | | Identifier: | (~{E})-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-~{N}-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide |
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 | | RB1 | | Name: | 3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)METHYL]PHENOL | | Formula: | C16 H19 N5 O | | SMILES: | n1c(c2c(nc1)n(nc2Cc3cccc(O)c3)C(C)(C)C)N | | InChi: | InChI=1S/C16H19N5O/c1-16(2,3)21-15-13(14(17)18-9-19-15)12(20-21)8-10-5-4-6-11(22)7-10/h4-7,9,22H,8H2,1-3H3,(H2,17,18,19) | | Definition date: | 2005-11-15 | | Last modified: | 2011-06-04 | | Identifier: | 3-[(4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenol |
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 | | 261 | | Name: | 2-ethoxyphenol | | Formula: | C8 H10 O2 | | SMILES: | O(c1ccccc1O)CC | | InChi: | InChI=1S/C8H10O2/c1-2-10-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3 | | Definition date: | 2007-10-02 | | Last modified: | 2011-06-04 | | Identifier: | 2-ethoxyphenol |
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