| VL5 | Name: | (2S)-2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2S)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[N-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid | Formula: | C25 H34 N8 O10 S2 | SMILES: | CC(C)(NO[S](O)(=O)=O)[CH](NC(=O)C(=NO[CH](COc1ccc(cc1)C(=N)N[CH]2CCCNC2)C(O)=O)c3csc(N)n3)C=O | InChi: | InChI=1S/C25H34N8O10S2/c1-25(2,33-43-45(38,39)40)19(11-34)31-22(35)20(17-13-44-24(27)30-17)32-42-18(23(36)37)12-41-16-7-5-14(6-8-16)21(26)29-15-4-3-9-28-10-15/h5-8,11,13,15,18-19,28,33H,3-4,9-10,12H2,1-2H3,(H2,26,29)(H2,27,30)(H,31,35)(H,36,37)(H,38,39,40)/b32-20-/t15-,18+,19-/m1/s1 | Synonyms: | AIC499 (bound) | Definition date: | 2021-05-27 | Last modified: | 2024-09-27 | Release date: | 2021-08-04 | Identifier: | (2~{S})-2-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2~{S})-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[~{N}-[(3~{R})-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid |
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| TY1 | Name: | O-tert-butyl-L-tyrosine | Formula: | C13 H19 N O3 | SMILES: | O=C(O)C(N)Cc1ccc(OC(C)(C)C)cc1 | InChi: | InChI=1S/C13H19NO3/c1-13(2,3)17-10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1 | Definition date: | 2010-10-06 | Last modified: | 2024-09-27 | Identifier: | O-tert-butyl-L-tyrosine |
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| XUJ | Name: | (2R)-2-amino-4-boronobutanoic acid | Formula: | C4 H10 B N O4 | SMILES: | B(O)(CCC(C(O)=O)N)O | InChi: | InChI=1S/C4H10BNO4/c6-3(4(7)8)1-2-5(9)10/h3,9-10H,1-2,6H2,(H,7,8)/t3-/m1/s1 | Definition date: | 2021-01-13 | Last modified: | 2024-09-27 | Release date: | 2022-02-23 | Identifier: | (2R)-2-amino-4-boronobutanoic acid |
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| SBD | Name: | D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE | Formula: | C17 H22 B N2 O6 | SMILES: | O=C(O)C(N)CO[B-](O)(O)C(NC(=O)C)Cc2cccc1ccccc12 | InChi: | InChI=1S/C17H22BN2O6/c1-11(21)20-16(18(24,25)26-10-15(19)17(22)23)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15-16,24-25H,9-10,19H2,1H3,(H,20,21)(H,22,23)/q-1/t15-,16+/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | [(1S)-1-(acetylamino)-2-naphthalen-1-ylethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-) |
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| TJB | Name: | 2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde | Formula: | C16 H11 Cl N2 O | SMILES: | Clc1cc(ccc1C=O)n2ccnc2c3ccccc3 | InChi: | InChI=1S/C16H11ClN2O/c17-15-10-14(7-6-13(15)11-20)19-9-8-18-16(19)12-4-2-1-3-5-12/h1-11H | Synonyms: | LvD1017 | Definition date: | 2020-12-22 | Last modified: | 2024-09-27 | Release date: | 2021-06-16 | Identifier: | 2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde |
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| XDY | Name: | N-[(1S,2S)-2-aminocyclopentyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine | Formula: | C14 H20 N4 O5 | SMILES: | C(CN(C1C(N)CCC1)C(=O)CN2C(NC(=O)C(C)=C2)=O)(O)=O | InChi: | InChI=1S/C14H20N4O5/c1-8-5-17(14(23)16-13(8)22)6-11(19)18(7-12(20)21)10-4-2-3-9(10)15/h5,9-10H,2-4,6-7,15H2,1H3,(H,20,21)(H,16,22,23)/t9-,10-/m0/s1 | Definition date: | 2020-12-11 | Last modified: | 2024-09-27 | Release date: | 2020-12-23 | Identifier: | N-[(1S,2S)-2-aminocyclopentyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine |
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| TY2 | Name: | 3-AMINO-L-TYROSINE | Formula: | C9 H12 N2 O3 | SMILES: | O=C(O)C(N)Cc1ccc(O)c(N)c1 | InChi: | InChI=1S/C9H12N2O3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,10-11H2,(H,13,14)/t7-/m0/s1 | Definition date: | 2007-11-17 | Last modified: | 2024-09-27 | Identifier: | 3-amino-L-tyrosine |
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| YBU | Name: | (5-phenyl-1,3,4-oxadiazol-2-yl)methanimine | Formula: | C9 H7 N3 O | SMILES: | N=Cc1oc(nn1)c2ccccc2 | InChi: | InChI=1S/C9H7N3O/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-6,10H/b10-6- | Definition date: | 2023-06-13 | Last modified: | 2024-09-27 | Release date: | 2023-06-28 | Identifier: | (5-phenyl-1,3,4-oxadiazol-2-yl)methanimine |
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| SBE | Name: | 1,3,2-DIOXABOROLAN-2-OL | Formula: | C2 H5 B O3 | SMILES: | OB1OCCO1 | InChi: | InChI=1S/C2H5BO3/c4-3-5-1-2-6-3/h4H,1-2H2 | Definition date: | 2004-02-02 | Last modified: | 2024-09-27 | Identifier: | 1,3,2-dioxaborolan-2-ol |
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| UCY | Name: | (1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate | Formula: | C8 H17 O2 P | SMILES: | CP(=O)OC1C(C)(CCC1)C | InChi: | InChI=1S/C8H17O2P/c1-8(2)6-4-5-7(8)10-11(3)9/h7,11H,4-6H2,1-3H3/t7-/m0/s1 | Synonyms: | 2,2-dimethylcyclopentyl methylphosphinate | Definition date: | 2020-05-07 | Last modified: | 2024-09-27 | Release date: | 2021-02-17 | Identifier: | (1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate |
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| WY2 | Name: | (6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID | Formula: | C15 H13 N3 O4 S2 | SMILES: | O=C(O)C1=NC=C(C(=O)O)C(SC1)c2nc3sc4c(n3c2)CCC4 | InChi: | InChI=1S/C15H13N3O4S2/c19-13(20)7-4-16-9(14(21)22)6-23-12(7)8-5-18-10-2-1-3-11(10)24-15(18)17-8/h4-5,12H,1-3,6H2,(H,19,20)(H,21,22)/t12-/m1/s1 | Definition date: | 2003-08-21 | Last modified: | 2024-09-27 | Identifier: | (7R)-7-(6,7-dihydro-5H-cyclopenta[d]imidazo[2,1-b][1,3]thiazol-2-yl)-2,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid |
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| WGO | Name: | N~2~-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide | Formula: | C24 H36 F N3 O9 S | SMILES: | CC(C)CC(NC(=O)OCC(C)(C)Oc1ccc(F)cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C24H36FN3O9S/c1-14(2)11-18(28-23(32)36-13-24(3,4)37-17-7-5-16(25)6-8-17)21(30)27-19(22(31)38(33,34)35)12-15-9-10-26-20(15)29/h5-8,14-15,18-19,22,31H,9-13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22+/m0/s1 | Definition date: | 2022-09-08 | Last modified: | 2024-09-27 | Release date: | 2022-09-14 | Identifier: | (1R,2S)-2-[(N-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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| SBG | Name: | O-[(S)-HYDROXY(METHYL)PHOSPHORYL]-L-SERINE | Formula: | C4 H10 N O5 P | SMILES: | O=P(OCC(C(=O)O)N)(O)C | InChi: | InChI=1S/C4H10NO5P/c1-11(8,9)10-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1 | Definition date: | 2007-02-13 | Last modified: | 2024-09-27 | Identifier: | O-[(S)-hydroxy(methyl)phosphoryl]-L-serine |
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| T4Q | Name: | 2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide | Formula: | C17 H16 N2 O S2 | SMILES: | SCCCNC(=O)c1ccccc1Sc2ccccc2C#N | InChi: | InChI=1S/C17H16N2OS2/c18-12-13-6-1-3-8-15(13)22-16-9-4-2-7-14(16)17(20)19-10-5-11-21/h1-4,6-9,21H,5,10-11H2,(H,19,20) | Definition date: | 2020-12-15 | Last modified: | 2024-09-27 | Release date: | 2021-07-07 | Identifier: | 2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide |
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| ZEK | Name: | 3-acetamido-N-methylbenzamide | Formula: | C10 H12 N2 O2 | SMILES: | O=C(C)Nc1cc(ccc1)C(=O)NC | InChi: | InChI=1S/C10H12N2O2/c1-7(13)12-9-5-3-4-8(6-9)10(14)11-2/h3-6H,1-2H3,(H,11,14)(H,12,13) | Definition date: | 2023-06-23 | Last modified: | 2024-09-27 | Release date: | 2023-07-12 | Identifier: | 3-acetamido-N-methylbenzamide |
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| XE0 | Name: | 4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol | Formula: | C13 H9 Cl2 F3 N2 O | SMILES: | Oc1nc(CCc2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F | InChi: | InChI=1S/C13H9Cl2F3N2O/c14-8-3-1-7(10(15)5-8)2-4-9-6-11(13(16,17)18)20-12(21)19-9/h1,3,5-6H,2,4H2,(H,19,20,21) | Definition date: | 2022-11-14 | Last modified: | 2024-09-27 | Release date: | 2023-10-18 | Identifier: | 4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol |
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| VZT | Name: | bis(4-fluorophenyl)methyl (1R,2S,5R)-2-({(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate | Formula: | C29 H33 F2 N3 O5 | SMILES: | O=C1NCCC1CC(CO)NC(=O)C1C2C(CN1C(=O)OC(c1ccc(F)cc1)c1ccc(F)cc1)C2(C)C | InChi: | InChI=1S/C29H33F2N3O5/c1-29(2)22-14-34(24(23(22)29)27(37)33-21(15-35)13-18-11-12-32-26(18)36)28(38)39-25(16-3-7-19(30)8-4-16)17-5-9-20(31)10-6-17/h3-10,18,21-25,35H,11-15H2,1-2H3,(H,32,36)(H,33,37)/t18-,21+,22-,23-,24-/m0/s1 | Definition date: | 2023-09-21 | Last modified: | 2024-09-27 | Release date: | 2024-09-25 | Identifier: | bis(4-fluorophenyl)methyl (1R,2S,5R)-2-({(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate |
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| WY4 | Name: | 7-(5,6-DIHYDRO-8H-IMIDAZO[2,1-C][1,4]OXAZIN-2-YL)-6-FORMYL-2,7-DIHYDRO- [1,4]THIAZEPINE-3-CARBOXYLIC ACID | Formula: | C13 H13 N3 O4 S | SMILES: | O=C(O)C1=NC=C(C=O)C(SC1)c2nc3n(c2)CCOC3 | InChi: | InChI=1S/C13H13N3O4S/c17-5-8-3-14-10(13(18)19)7-21-12(8)9-4-16-1-2-20-6-11(16)15-9/h3-5,12H,1-2,6-7H2,(H,18,19)/t12-/m1/s1 | Definition date: | 2003-03-05 | Last modified: | 2024-09-27 | Identifier: | (7R)-7-(5,6-dihydro-8H-imidazo[2,1-c][1,4]oxazin-2-yl)-6-formyl-2,7-dihydro-1,4-thiazepine-3-carboxylic acid |
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| YBZ | Name: | (5-phenyl-1,3,4-thiadiazol-2-yl)methanimine | Formula: | C9 H7 N3 S | SMILES: | N=Cc1sc(nn1)c2ccccc2 | InChi: | InChI=1S/C9H7N3S/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-6,10H/b10-6- | Definition date: | 2023-06-13 | Last modified: | 2024-09-27 | Release date: | 2023-07-26 | Identifier: | (5-phenyl-1,3,4-thiadiazol-2-yl)methanimine |
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| UQN | Name: | 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole | Formula: | C16 H12 Br2 N2 | SMILES: | Cc1ccc(cc1Br)n2ccnc2c3ccccc3Br | InChi: | InChI=1S/C16H12Br2N2/c1-11-6-7-12(10-15(11)18)20-9-8-19-16(20)13-4-2-3-5-14(13)17/h2-10H,1H3 | Definition date: | 2021-03-09 | Last modified: | 2024-09-27 | Release date: | 2021-06-16 | Identifier: | 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole |
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| TY5 | Name: | O-benzyl-L-tyrosine | Formula: | C16 H17 N O3 | SMILES: | O=C(O)C(N)Cc2ccc(OCc1ccccc1)cc2 | InChi: | InChI=1S/C16H17NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m0/s1 | Definition date: | 2010-12-10 | Last modified: | 2024-09-27 | Identifier: | O-benzyl-L-tyrosine |
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| XE2 | Name: | (6P)-6-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde | Formula: | C15 H10 O3 | SMILES: | Oc1ccc2cc(ccc2c1C=O)c1ccco1 | InChi: | InChI=1S/C15H10O3/c16-9-13-12-5-3-11(15-2-1-7-18-15)8-10(12)4-6-14(13)17/h1-9,17H | Definition date: | 2023-06-06 | Last modified: | 2024-09-27 | Release date: | 2023-12-06 | Identifier: | (6P)-6-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde |
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| UQO | Name: | (1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C24 H37 N3 O10 S2 | SMILES: | CC(C)CC(NC(=O)OCC(C)(C)S(=O)(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C24H37N3O10S2/c1-15(2)12-18(21(29)26-19(22(30)39(34,35)36)13-16-10-11-25-20(16)28)27-23(31)37-14-24(3,4)38(32,33)17-8-6-5-7-9-17/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,34,35,36)/t16-,18-,19-,22-/m0/s1 | Definition date: | 2022-08-23 | Last modified: | 2024-09-27 | Release date: | 2022-09-21 | Identifier: | (1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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| V5F | Name: | (2R)-2-(2-azanylphenoxy)propanoic acid | Formula: | C9 H11 N O3 | SMILES: | C[CH](Oc1ccccc1N)C(O)=O | InChi: | InChI=1S/C9H11NO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,10H2,1H3,(H,11,12)/t6-/m1/s1 | Definition date: | 2023-02-21 | Last modified: | 2024-09-27 | Release date: | 2023-07-19 | Identifier: | (2~{R})-2-(2-azanylphenoxy)propanoic acid |
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| TY8 | Name: | 2,4-bis(hydroperoxy)-5-hydroxy-L-phenylalanine | Formula: | C9 H11 N O7 | SMILES: | O=C(O)C(N)Cc1c(OO)cc(OO)c(O)c1 | InChi: | InChI=1S/C9H11NO7/c10-5(9(12)13)1-4-2-6(11)8(17-15)3-7(4)16-14/h2-3,5,11,14-15H,1,10H2,(H,12,13)/t5-/m0/s1 | Definition date: | 2010-07-19 | Last modified: | 2024-09-27 | Identifier: | 2,4-bis(hydroperoxy)-5-hydroxy-L-phenylalanine |
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