 | | T5N | | Name: | 2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide | | Formula: | C12 H16 Br N O2 S | | SMILES: | CC(C)(Oc1ccc(Br)cc1)C(=O)NCCS | | InChi: | InChI=1S/C12H16BrNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15) | | Definition date: | 2020-12-15 | | Last modified: | 2024-09-27 | | Release date: | 2021-07-07 | | Identifier: | 2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
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 | | TYQ | | Name: | 3-AMINO-6-HYDROXY-TYROSINE | | Formula: | C9 H12 N2 O4 | | SMILES: | O=C(O)C(N)Cc1c(O)cc(O)c(N)c1 | | InChi: | InChI=1S/C9H12N2O4/c10-5-1-4(2-6(11)9(14)15)7(12)3-8(5)13/h1,3,6,12-13H,2,10-11H2,(H,14,15)/t6-/m0/s1 | | Definition date: | 1999-08-26 | | Last modified: | 2024-09-27 | | Identifier: | 3-amino-6-hydroxy-L-tyrosine |
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 | | ZTA | | Name: | (7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde | | Formula: | C15 H10 O3 | | SMILES: | O=Cc1c2cc(ccc2ccc1O)c1ccco1 | | InChi: | InChI=1S/C15H10O3/c16-9-13-12-8-11(15-2-1-7-18-15)4-3-10(12)5-6-14(13)17/h1-9,17H | | Definition date: | 2023-07-03 | | Last modified: | 2024-09-27 | | Release date: | 2023-12-06 | | Identifier: | (7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde |
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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: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | [(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]carbamic acid |
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 | | TYR | | Name: | TYROSINE | | Formula: | C9 H11 N O3 | | SMILES: | O=C(O)C(N)Cc1ccc(O)cc1 | | InChi: | InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | L-tyrosine |
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 | | TKH | | Name: | [4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl-phenyl]methanol | | Formula: | C16 H9 Br F2 N2 O | | SMILES: | Fc1ccc(c(F)c1)c2nccn2c3ccc(C=O)c(Br)c3 | | InChi: | InChI=1S/C16H9BrF2N2O/c17-14-8-12(3-1-10(14)9-22)21-6-5-20-16(21)13-4-2-11(18)7-15(13)19/h1-9H | | Definition date: | 2021-01-05 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-16 | | Identifier: | 4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl-benzaldehyde |
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 | | TKI | | Name: | 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid | | Formula: | C10 H16 N4 O2 | | SMILES: | CCc1nc(CC)nc(n1)N(C)CC(O)=O | | InChi: | InChI=1S/C10H16N4O2/c1-4-7-11-8(5-2)13-10(12-7)14(3)6-9(15)16/h4-6H2,1-3H3,(H,15,16) | | Synonyms: | 2-(N-methyl-N-(4,6-divinyl-1,3,5-triazin-2-yl)amino)acetic acid (precursor) | | Definition date: | 2023-01-06 | | Last modified: | 2024-09-27 | | Release date: | 2023-11-29 | | Identifier: | 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid |
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 | | TYS | | Name: | O-SULFO-L-TYROSINE | | Formula: | C9 H11 N O6 S | | SMILES: | O=C(O)C(N)Cc1ccc(OS(=O)(=O)O)cc1 | | InChi: | InChI=1S/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | O-sulfo-L-tyrosine |
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 | | QC7 | | Name: | (5R,6R)-6-[(1S,2R,4aS,4bS,7R,8aS,10R,10aS)-7,10-dihydroxy-1,2,4b-trimethyltetradecahydrophenanthren-2-yl]-5-methylheptan-2-one | | Formula: | C25 H44 O3 | | SMILES: | CC(C(C)CCC(C)=O)C3(C(C)C2C(CC1CC(CCC1(C)C2CC3)O)O)C | | InChi: | InChI=1S/C25H44O3/c1-15(7-8-16(2)26)17(3)24(5)12-10-21-23(18(24)4)22(28)14-19-13-20(27)9-11-25(19,21)6/h15,17-23,27-28H,7-14H2,1-6H3/t15-,17-,18+,19+,20-,21+,22-,23+,24-,25+/m1/s1 | | Definition date: | 2019-10-11 | | Last modified: | 2024-09-27 | | Release date: | 2020-02-19 | | Identifier: | (5R,6R)-6-[(1S,2R,4aS,4bS,7R,8aS,10R,10aS)-7,10-dihydroxy-1,2,4b-trimethyltetradecahydrophenanthren-2-yl]-5-methylheptan-2-one |
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 | | RIP | | Name: | beta-D-ribopyranose | | Formula: | C5 H10 O5 | | SMILES: | OC1C(O)COC(O)C1O | | InChi: | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5-/m1/s1 | | Synonyms: | beta-D-ribose | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | beta-D-ribopyranose |
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 | | ZTC | | Name: | (2S)-amino(3,5-dimethoxyphenyl)acetic acid | | Formula: | C10 H13 N O4 | | SMILES: | COc1cc(cc(OC)c1)C(N)C(=O)O | | InChi: | InChI=1S/C10H13NO4/c1-14-7-3-6(9(11)10(12)13)4-8(5-7)15-2/h3-5,9H,11H2,1-2H3,(H,12,13)/t9-/m0/s1 | | Definition date: | 2023-03-30 | | Last modified: | 2024-09-27 | | Release date: | 2023-06-21 | | Identifier: | (2S)-amino(3,5-dimethoxyphenyl)acetic acid |
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 | | XC4 | | Name: | 1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole | | Formula: | C15 H10 N4 O2 | | SMILES: | c2cc1nccc1cc2C(=O)On3c4c(nn3)cccc4 | | InChi: | InChI=1S/C15H10N4O2/c20-15(11-5-6-12-10(9-11)7-8-16-12)21-19-14-4-2-1-3-13(14)17-18-19/h1-9,16H | | Definition date: | 2020-12-09 | | Last modified: | 2024-09-27 | | Release date: | 2020-12-16 | | Identifier: | 1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole |
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 | | YPK | | Name: | [(3S)-1-[4-(dimethylamino)butanoyl]pyrrolidin-3-yl] 4-[(5-methyl-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate | | Formula: | C26 H41 N7 O3 | | SMILES: | CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[CH]4CCN(C4)C(=O)CCCN(C)C)cc(C)nc12 | | InChi: | InChI=1S/C26H41N7O3/c1-18(2)22-16-27-33-23(15-19(3)28-25(22)33)29-20-8-12-31(13-9-20)26(35)36-21-10-14-32(17-21)24(34)7-6-11-30(4)5/h15-16,18,20-21,29H,6-14,17H2,1-5H3/t21-/m0/s1 | | Synonyms: | HYDROXYETHYLAMINE BACE INHIBITOR | | Definition date: | 2023-12-08 | | Last modified: | 2024-09-27 | | Release date: | 2024-05-29 | | Identifier: | [(3~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-3-yl] 4-[(5-methyl-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate |
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 | | T5Q | | Name: | 2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide | | Formula: | C12 H15 F2 N O2 S | | SMILES: | CC(C)(Oc1cc(F)cc(F)c1)C(=O)NCCS | | InChi: | InChI=1S/C12H15F2NO2S/c1-12(2,11(16)15-3-4-18)17-10-6-8(13)5-9(14)7-10/h5-7,18H,3-4H2,1-2H3,(H,15,16) | | Definition date: | 2020-12-15 | | Last modified: | 2024-09-27 | | Release date: | 2021-07-07 | | Identifier: | 2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
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 | | TYT | | Name: | TYROSINE DERIVATIVE | | Formula: | C18 H20 N2 O4 | | SMILES: | O=C(O)C(N)CC3C(=O)C=C(O)/C(=N/C2CC2c1ccccc1)C3 | | InChi: | InChI=1S/C18H20N2O4/c19-13(18(23)24)6-11-7-15(17(22)9-16(11)21)20-14-8-12(14)10-4-2-1-3-5-10/h1-5,9,11-14,22H,6-8,19H2,(H,23,24)/b20-15+ | | Synonyms: | 2-AMINO-3-[4-HYDROXY-6-OXO-3-(2-PHENYL-CYCLOPROPYLIMINO)-CYCLOHEXA-1,4-DIENYL]-PROPIONIC ACID | | Definition date: | 2002-06-21 | | Last modified: | 2024-09-27 | | Identifier: | 3-{(5E)-4-hydroxy-2-oxo-5-[(2-phenylcyclopropyl)imino]cyclohex-3-en-1-yl}alanine |
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 | | TKK | | Name: | 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole | | Formula: | C16 H10 Br2 N2 O | | SMILES: | Brc1ccccc1c2nccn2c3ccc(C=O)c(Br)c3 | | InChi: | InChI=1S/C16H10Br2N2O/c17-14-4-2-1-3-13(14)16-19-7-8-20(16)12-6-5-11(10-21)15(18)9-12/h1-10H | | Definition date: | 2021-01-06 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-16 | | Identifier: | 2-bromanyl-4-[2-(2-bromophenyl)imidazol-1-yl]benzaldehyde |
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 | | QC9 | | Name: | (2~{R},3~{S},4~{S})-2,3,4,6-tetrakis(oxidanyl)hexane-1-sulfonic acid | | Formula: | C6 H14 O7 S | | SMILES: | OCC[CH](O)[CH](O)[CH](O)C[S](O)(=O)=O | | InChi: | InChI=1S/C6H14O7S/c7-2-1-4(8)6(10)5(9)3-14(11,12)13/h4-10H,1-3H2,(H,11,12,13)/t4-,5-,6-/m0/s1 | | Definition date: | 2022-10-25 | | Last modified: | 2024-09-27 | | Release date: | 2023-01-18 | | Identifier: | (2~{R},3~{S},4~{S})-2,3,4,6-tetrakis(oxidanyl)hexane-1-sulfonic acid |
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 | | QCA | | Name: | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid | | Formula: | C15 H16 N4 O7 | | SMILES: | NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(N(=O)=O)c(cc2)O | | InChi: | InChI=1S/C15H16N4O7/c1-7(20)13(16)14-17-9(15(24)18(14)6-12(22)23)4-8-2-3-11(21)10(5-8)19(25)26/h2-5,7,13,20-21H,6,16H2,1H3,(H,22,23)/b9-4-/t7-,13+/m1/s1 | | Synonyms: | PEPTIDE DERIVED CHROMOPHORE | | Definition date: | 2019-10-11 | | Last modified: | 2024-09-27 | | Release date: | 2020-10-14 | | Identifier: | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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 | | SQW | | Name: | propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate | | Formula: | C15 H17 N O3 | | SMILES: | CC(C)OC(=O)CCC(=O)n1ccc2ccccc12 | | InChi: | InChI=1S/C15H17NO3/c1-11(2)19-15(18)8-7-14(17)16-10-9-12-5-3-4-6-13(12)16/h3-6,9-11H,7-8H2,1-2H3 | | Definition date: | 2020-11-30 | | Last modified: | 2024-09-27 | | Release date: | 2021-08-04 | | Identifier: | propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate |
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 | | R4R | | Name: | 4-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylprop-2-enoyl)-1H-indole-3-carbaldehyde, bound form | | Formula: | C24 H27 N3 O2 | | SMILES: | CN1CCN(CC1)c1ccc(cc1)c1cccc2n(cc(C=O)c21)C(=O)C(C)C | | InChi: | InChI=1S/C24H27N3O2/c1-17(2)24(29)27-15-19(16-28)23-21(5-4-6-22(23)27)18-7-9-20(10-8-18)26-13-11-25(3)12-14-26/h4-10,15-17H,11-14H2,1-3H3 | | Definition date: | 2022-06-16 | | Last modified: | 2024-09-27 | | Release date: | 2022-10-12 | | Identifier: | 4-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropanoyl)-1H-indole-3-carbaldehyde |
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 | | ZTG | | Name: | (betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-D-tyrosine | | Formula: | C18 H30 Cl N O4 Si | | SMILES: | Oc1ccc(cc1Cl)C(O[Si](C(C)C)(C(C)C)C(C)C)C(N)C(=O)O | | InChi: | InChI=1S/C18H30ClNO4Si/c1-10(2)25(11(3)4,12(5)6)24-17(16(20)18(22)23)13-7-8-15(21)14(19)9-13/h7-12,16-17,21H,20H2,1-6H3,(H,22,23)/t16-,17-/m1/s1 | | Definition date: | 2023-03-30 | | Last modified: | 2024-09-27 | | Release date: | 2023-06-21 | | Identifier: | (betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-D-tyrosine |
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 | | TYW | | Name: | (2S)-2-amino-3-(4-hydroxyphenyl)propane-1,1-diol | | Formula: | C9 H13 N O3 | | SMILES: | Oc1ccc(cc1)CC(N)C(O)O | | InChi: | InChI=1S/C9H13NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8-9,11-13H,5,10H2/t8-/m0/s1 | | Definition date: | 2011-09-27 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-amino-3-(4-hydroxyphenyl)propane-1,1-diol |
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 | | RX9 | | Name: | Dehydroisoleucine | | Formula: | C6 H11 N O2 | | SMILES: | CCC(C)=C(N)C(O)=O | | InChi: | InChI=1S/C6H11NO2/c1-3-4(2)5(7)6(8)9/h3,7H2,1-2H3,(H,8,9)/b5-4+ | | Synonyms: | (E)-2-azanyl-3-methyl-pent-2-enoic acid | | Definition date: | 2022-12-09 | | Last modified: | 2024-09-27 | | Release date: | 2023-01-18 | | Identifier: | (~{E})-2-azanyl-3-methyl-pent-2-enoic acid |
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 | | UDI | | Name: | butane-1,4-dithiol | | Formula: | C4 H10 S2 | | SMILES: | SCCCCS | | InChi: | InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2 | | Synonyms: | 1,2-dithiane 1-oxide (reacted) | | Definition date: | 2023-02-01 | | Last modified: | 2024-09-27 | | Release date: | 2023-12-13 | | Identifier: | butane-1,4-dithiol |
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 | | XT8 | | Name: | (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | | Formula: | C15 H18 N2 O6 S2 | | SMILES: | C(=O)C(NC(C(c1cscc1)C(O)=O)=O)C2SC(C(C(O)=O)N2)(C)C | | InChi: | InChI=1S/C15H18N2O6S2/c1-15(2)10(14(22)23)17-12(25-15)8(5-18)16-11(19)9(13(20)21)7-3-4-24-6-7/h3-6,8-10,12,17H,1-2H3,(H,16,19)(H,20,21)(H,22,23)/t8-,9-,10+,12-/m1/s1 | | Synonyms: | ticarcillin | | Definition date: | 2019-10-15 | | Last modified: | 2024-09-27 | | Release date: | 2019-10-30 | | Identifier: | (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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