 | | Y0E | | Name: | N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide | | Formula: | C30 H27 N3 O2 | | SMILES: | CC(NC(=O)C(N(C(=O)C=C)c1ccc(cc1)c1ccccc1)c1cccnc1)c1ccccc1 | | InChi: | InChI=1S/C30H27N3O2/c1-3-28(34)33(27-18-16-25(17-19-27)24-13-8-5-9-14-24)29(26-15-10-20-31-21-26)30(35)32-22(2)23-11-6-4-7-12-23/h3-22,29H,1H2,2H3,(H,32,35)/t22-,29+/m0/s1 | | Definition date: | 2022-12-19 | | Last modified: | 2024-09-27 | | Release date: | 2023-08-09 | | Identifier: | N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide |
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 | | NFF | | Name: | (2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic
acid | | Formula: | C21 H24 N2 O5 S | | SMILES: | O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c3c2ccccc2ccc3OCC | | InChi: | InChI=1S/C21H24N2O5S/c1-4-28-15-10-9-12-7-5-6-8-13(12)16(15)18(25)22-14(11-24)19-23-17(20(26)27)21(2,3)29-19/h5-11,14,17,19,23H,4H2,1-3H3,(H,22,25)(H,26,27)/t14-,17+,19-/m1/s1 | | Synonyms: | Nafcillin, bound form | | Definition date: | 2010-06-28 | | Last modified: | 2024-09-27 | | Identifier: | (2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | X8F | | Name: | methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | Formula: | C24 H41 F N4 O6 | | SMILES: | CNC(=O)C(O)C(CCC(C)F)NC(=O)C1C2CCCC2CN1C(=O)C(NC(=O)OC)C(C)(C)C | | InChi: | InChI=1S/C24H41FN4O6/c1-13(25)10-11-16(18(30)21(32)26-5)27-20(31)17-15-9-7-8-14(15)12-29(17)22(33)19(24(2,3)4)28-23(34)35-6/h13-19,30H,7-12H2,1-6H3,(H,26,32)(H,27,31)(H,28,34)/t13-,14-,15-,16-,17-,18+,19+/m0/s1 | | Definition date: | 2023-10-24 | | Last modified: | 2024-09-27 | | Release date: | 2024-03-06 | | Identifier: | methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate (non-preferred name) |
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 | | ZBR | | Name: | 1,3,5-tris(bromomethyl)benzene | | Formula: | C9 H9 Br3 | | SMILES: | BrCc1cc(cc(c1)CBr)CBr | | InChi: | InChI=1S/C9H9Br3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-6H2 | | Definition date: | 2011-02-16 | | Last modified: | 2024-09-27 | | Identifier: | 1,3,5-tris(bromomethyl)benzene |
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 | | LEN | | Name: | 3-METHYLBUTAN-1-AMINE | | Formula: | C5 H13 N | | SMILES: | NCCC(C)C | | InChi: | InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3 | | Definition date: | 2003-05-27 | | Last modified: | 2024-09-27 | | Identifier: | 3-methylbutan-1-amine |
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 | | QQ0 | | Name: | 4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide | | Formula: | C10 H13 N O3 S2 | | SMILES: | CN(CCS)[S](=O)(=O)c1ccc(C=O)cc1 | | InChi: | InChI=1S/C10H13NO3S2/c1-11(6-7-15)16(13,14)10-4-2-9(8-12)3-5-10/h2-5,8,15H,6-7H2,1H3 | | Definition date: | 2022-11-10 | | Last modified: | 2024-09-27 | | Release date: | 2023-03-29 | | Identifier: | 4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide |
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 | | UQ0 | | Name: | 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE | | Formula: | C9 H10 O4 | | SMILES: | O=C1C=C(C(=O)C(OC)=C1OC)C | | InChi: | InChI=1S/C9H10O4/c1-5-4-6(10)8(12-2)9(13-3)7(5)11/h4H,1-3H3 | | Definition date: | 2011-11-26 | | Last modified: | 2024-09-27 | | Release date: | 2023-11-08 | | Identifier: | 2,3-dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione |
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 | | Y0I | | Name: | (3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide | | Formula: | C30 H28 N4 O2 | | SMILES: | CC(NC(=O)C(N(C(=O)CC=N)c1ccc(cc1)c1ccccc1)c1cccnc1)c1ccccc1 | | InChi: | InChI=1S/C30H28N4O2/c1-22(23-9-4-2-5-10-23)33-30(36)29(26-13-8-20-32-21-26)34(28(35)18-19-31)27-16-14-25(15-17-27)24-11-6-3-7-12-24/h2-17,19-22,29,31H,18H2,1H3,(H,33,36)/t22-,29+/m0/s1 | | Definition date: | 2022-12-19 | | Last modified: | 2024-09-27 | | Release date: | 2023-08-09 | | Identifier: | (3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide |
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 | | X8H | | Name: | (1R,3S,4Z)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid | | Formula: | C14 H19 N2 O7 P | | SMILES: | Oc1c(CC2CC(CC2=N)C(=O)O)c(cnc1C)COP(=O)(O)O | | InChi: | InChI=1S/C14H19N2O7P/c1-7-13(17)11(10(5-16-7)6-23-24(20,21)22)3-8-2-9(14(18)19)4-12(8)15/h5,8-9,15,17H,2-4,6H2,1H3,(H,18,19)(H2,20,21,22)/b15-12-/t8-,9+/m0/s1 | | Definition date: | 2022-11-06 | | Last modified: | 2024-09-27 | | Release date: | 2023-02-22 | | Identifier: | (1R,3S,4Z)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid |
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 | | V3T | | Name: | 4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide | | Formula: | C13 H13 N3 O2 | | SMILES: | Cn1ccnc1CNC(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C13H13N3O2/c1-16-7-6-14-12(16)8-15-13(18)11-4-2-10(9-17)3-5-11/h2-7,9H,8H2,1H3,(H,15,18) | | Definition date: | 2021-04-09 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | 4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide |
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 | | UQ1 | | Name: | UBIQUINONE-1 | | Formula: | C14 H18 O4 | | SMILES: | O=C1C(=C(C(=O)C(OC)=C1OC)C)CC=C(/C)C | | InChi: | InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione |
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 | | ZU0 | | Name: | O-tert-butyl-L-threonine | | Formula: | C8 H17 N O3 | | SMILES: | O=C(O)C(N)C(OC(C)(C)C)C | | InChi: | InChI=1S/C8H17NO3/c1-5(6(9)7(10)11)12-8(2,3)4/h5-6H,9H2,1-4H3,(H,10,11)/t5-,6+/m1/s1 | | Definition date: | 2008-12-10 | | Last modified: | 2024-09-27 | | Identifier: | O-tert-butyl-L-threonine |
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 | | NFK | | Name: | N'-Formylkynurenine | | Formula: | C11 H12 N2 O4 | | SMILES: | O=C(O)C(CC(c1ccccc1NC=O)=O)N | | InChi: | InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)/t8-/m0/s1 | | Synonyms: | (2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid | | Definition date: | 2016-10-04 | | Last modified: | 2024-09-27 | | Release date: | 2016-10-26 | | Identifier: | (2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid |
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 | | XLX | | Name: | 4,4'-(ethylenediimino)bis[4-oxobutyrate] | | Formula: | C11 H18 N2 O6 | | SMILES: | O=C(NCCNC(=O)CCC(=O)O)CCCC(=O)O | | InChi: | InChI=1S/C11H18N2O6/c14-8(2-1-3-10(16)17)12-6-7-13-9(15)4-5-11(18)19/h1-7H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19) | | Synonyms: | 1,2-bis(maleimido)ethane, hydrolyzed open form | | Definition date: | 2012-08-06 | | Last modified: | 2024-09-27 | | Identifier: | 5-({2-[(3-carboxypropanoyl)amino]ethyl}amino)-5-oxopentanoic acid |
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 | | RWJ | | Name: | CYCLOPENTANECARBOXYLIC ACID [1-(BENZOTHIAZOLE-2-CARBONYL)-4-GUANIDINO-BUTYL]-AMIDE | | Formula: | C19 H25 N5 O2 S | | SMILES: | O=C(NC(C(=O)c1nc2ccccc2s1)CCCNC(=[N@H])N)C3CCCC3 | | InChi: | InChI=1S/C19H25N5O2S/c20-19(21)22-11-5-9-14(23-17(26)12-6-1-2-7-12)16(25)18-24-13-8-3-4-10-15(13)27-18/h3-4,8,10,12,14H,1-2,5-7,9,11H2,(H,23,26)(H4,20,21,22)/t14-/m0/s1 | | Synonyms: | RWJ-51084 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N-[(1S)-1-(1,3-benzothiazol-2-ylcarbonyl)-4-carbamimidamidobutyl]cyclopentanecarboxamide |
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 | | ZU3 | | Name: | N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-[(1R)-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}pentyl]-L-leucinamide | | Formula: | C32 H49 N5 O7 | | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)C)CC(C)C)CNC(=O)C(C)(C)C | | InChi: | InChI=1S/C32H49N5O7/c1-20(2)16-25(28(40)35-24(13-12-21(3)38)17-23-14-15-33-27(23)39)36-29(41)26(18-34-30(42)32(4,5)6)37-31(43)44-19-22-10-8-7-9-11-22/h7-11,20,23-26H,12-19H2,1-6H3,(H,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,43)/t23-,24+,25-,26-/m0/s1 | | Synonyms: | TG-0204998 | | Definition date: | 2008-10-30 | | Last modified: | 2024-09-27 | | Identifier: | N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-{(2R)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hexan-2-yl}-L-leucinamide |
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 | | ZBZ | | Name: | S-(phenylcarbonyl)-L-cysteine | | Formula: | C10 H11 N O3 S | | SMILES: | O=C(O)C(N)CSC(=O)c1ccccc1 | | InChi: | InChI=1S/C10H11NO3S/c11-8(9(12)13)6-15-10(14)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)/t8-/m0/s1 | | Definition date: | 2010-02-09 | | Last modified: | 2024-09-27 | | Identifier: | S-benzoyl-L-cysteine |
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 | | NTJ | | Name: | R-ETHYL N,N-DIMETHYLPHOSPHONAMIDATE | | Formula: | C4 H12 N O2 P | | SMILES: | O=P(OCC)N(C)C | | InChi: | InChI=1S/C4H12NO2P/c1-4-7-8(6)5(2)3/h8H,4H2,1-3H3 | | Definition date: | 2005-09-07 | | Last modified: | 2024-09-27 | | Identifier: | ethyl (S)-N,N-dimethylphosphonamidoate |
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 | | O9E | | Name: | ~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide | | Formula: | C30 H38 N8 O2 S2 | | SMILES: | CCCn1cc(CN(C)C(=O)c2sc(C)c(c2)C3=C(CCC3)c4cc(sc4C)C(=O)N(C)Cc5cn(CC)nn5)nn1 | | InChi: | InChI=1S/C30H38N8O2S2/c1-7-12-38-18-22(32-34-38)16-36(6)30(40)28-14-26(20(4)42-28)24-11-9-10-23(24)25-13-27(41-19(25)3)29(39)35(5)15-21-17-37(8-2)33-31-21/h13-14,17-18H,7-12,15-16H2,1-6H3 | | Definition date: | 2020-02-24 | | Last modified: | 2024-09-27 | | Release date: | 2020-05-20 | | Identifier: | ~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide |
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 | | V3W | | Name: | 4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde | | Formula: | C14 H17 N O3 | | SMILES: | COC1CCN(CC1)C(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C14H17NO3/c1-18-13-6-8-15(9-7-13)14(17)12-4-2-11(10-16)3-5-12/h2-5,10,13H,6-9H2,1H3 | | Definition date: | 2021-04-09 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | 4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde |
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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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 | | UQ4 | | Name: | N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine | | Formula: | C9 H8 N4 O5 | | SMILES: | C(=O)(CCNc1c2c(c(cc1)N(=O)=O)non2)O | | InChi: | InChI=1S/C9H8N4O5/c14-7(15)3-4-10-5-1-2-6(13(16)17)9-8(5)11-18-12-9/h1-2,10H,3-4H2,(H,14,15) | | Definition date: | 2020-05-27 | | Last modified: | 2024-09-27 | | Release date: | 2020-06-03 | | Identifier: | N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine |
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 | | Y0M | | Name: | 8-[fluoro(dihydroxy)-lambda~4~-sulfanyl]-N-(2-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide | | Formula: | C14 H13 F N2 O7 S2 | | SMILES: | COc1ncccc1NS(=O)(=O)c1ccc(c2OCCOc12)S(F)(=O)=O | | InChi: | InChI=1S/C14H13FN2O7S2/c1-22-14-9(3-2-6-16-14)17-26(20,21)11-5-4-10(25(15,18)19)12-13(11)24-8-7-23-12/h2-6,17H,7-8H2,1H3 | | Definition date: | 2022-12-20 | | Last modified: | 2024-09-27 | | Release date: | 2023-12-06 | | Identifier: | 8-[(2-methoxypyridin-3-yl)sulfamoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonyl fluoride |
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 | | T4M | | Name: | N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide | | Formula: | C14 H15 N O | | SMILES: | c1(cccc2c1cccc2)C(NC(=O)C)C | | InChi: | InChI=1S/C14H15NO/c1-10(15-11(2)16)13-9-5-7-12-6-3-4-8-14(12)13/h3-10H,1-2H3,(H,15,16)/t10-/m1/s1 | | Definition date: | 2020-03-16 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-25 | | Identifier: | N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide |
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 | | YE3 | | Name: | (8M)-8-(2-{[2-(fluorosulfonyl)ethyl]amino}phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | | Formula: | C18 H15 F N2 O5 S | | SMILES: | FS(=O)(=O)CCNc1ccccc1c1cccc2c1NC=C(C2=O)C(=O)O | | InChi: | InChI=1S/C18H15FN2O5S/c19-27(25,26)9-8-20-15-7-2-1-4-11(15)12-5-3-6-13-16(12)21-10-14(17(13)22)18(23)24/h1-7,10,20H,8-9H2,(H,21,22)(H,23,24) | | Definition date: | 2023-12-01 | | Last modified: | 2024-09-27 | | Release date: | 2024-09-25 | | Identifier: | (8M)-8-(2-{[2-(fluorosulfonyl)ethyl]amino}phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
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