 | | LGO | | Name: | 4-{5-phenyl-4-[(4-sulfamoylphenyl)carbamamido]-1H-pyrazol-1-yl}benzene-1-sulfonamide | | Formula: | C22 H20 N6 O5 S2 | | SMILES: | NS(=O)(=O)c1ccc(cc1)NC(=O)Nc1cnn(c2ccc(cc2)S(N)(=O)=O)c1c1ccccc1 | | InChi: | InChI=1S/C22H20N6O5S2/c23-34(30,31)18-10-6-16(7-11-18)26-22(29)27-20-14-25-28(21(20)15-4-2-1-3-5-15)17-8-12-19(13-9-17)35(24,32)33/h1-14H,(H2,23,30,31)(H2,24,32,33)(H2,26,27,29) | | Definition date: | 2023-08-15 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | 4-{5-phenyl-4-[(4-sulfamoylphenyl)carbamamido]-1H-pyrazol-1-yl}benzene-1-sulfonamide |
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 | | VOA | | Name: | N-(6-chloropyridin-3-yl)-N~2~-(1,4-dihydro-2H-pyrano[3,4-c]quinolin-9-yl)-L-alaninamide | | Formula: | C20 H19 Cl N4 O2 | | SMILES: | Clc1ccc(cn1)NC(=O)C(C)Nc1cc2c3CCOCc3cnc2cc1 | | InChi: | InChI=1S/C20H19ClN4O2/c1-12(20(26)25-15-3-5-19(21)23-10-15)24-14-2-4-18-17(8-14)16-6-7-27-11-13(16)9-22-18/h2-5,8-10,12,24H,6-7,11H2,1H3,(H,25,26)/t12-/m0/s1 | | Definition date: | 2020-08-31 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | N-(6-chloropyridin-3-yl)-N~2~-(1,4-dihydro-2H-pyrano[3,4-c]quinolin-9-yl)-L-alaninamide |
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 | | W2Z | | Name: | (1R,2S)-8-(ethanesulfonyl)-2-[(4R,5S,9aM)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decan-1-ol | | Formula: | C21 H27 N3 O3 S | | SMILES: | CCS(=O)(=O)N1CCC2(CCC(C2O)C2c3ccccc3c3cncn32)CC1 | | InChi: | InChI=1S/C21H27N3O3S/c1-2-28(26,27)23-11-9-21(10-12-23)8-7-17(20(21)25)19-16-6-4-3-5-15(16)18-13-22-14-24(18)19/h3-6,13-14,17,19-20,25H,2,7-12H2,1H3/t17-,19+,20+/m0/s1 | | Definition date: | 2023-09-22 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | (1R,2S)-8-(ethanesulfonyl)-2-[(4R,5S,9aM)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decan-1-ol |
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 | | WA6 | | Name: | (2S)-2-azanyl-2-cyclopropyl-2-(4-phosphonophenyl)ethanoic acid | | Formula: | C11 H14 N O5 P | | SMILES: | N[C](C1CC1)(C(O)=O)c2ccc(cc2)[P](O)(O)=O | | InChi: | InChI=1S/C11H14NO5P/c12-11(10(13)14,7-1-2-7)8-3-5-9(6-4-8)18(15,16)17/h3-7H,1-2,12H2,(H,13,14)(H2,15,16,17)/t11-/m0/s1 | | Definition date: | 2023-09-22 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | (2~{S})-2-azanyl-2-cyclopropyl-2-(4-phosphonophenyl)ethanoic acid |
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 | | WAG | | Name: | (1S,2R)-2-[(2S)-2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9H-xanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid | | Formula: | C20 H19 N O5 | | SMILES: | N[C](C[CH]1c2ccccc2Oc3ccccc13)([CH]4C[CH]4C(O)=O)C(O)=O | | InChi: | InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15+,20-/m0/s1 | | Definition date: | 2023-09-22 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | (1~{S},2~{R})-2-[(2~{S})-2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9~{H}-xanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid |
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 | | WTO | | Name: | methyl (2~{S})-1-[4-(propanoylamino)phenyl]sulfonylpyrrolidine-2-carboxylate | | Formula: | C15 H20 N2 O5 S | | SMILES: | CCC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCC[CH]2C(=O)OC | | InChi: | InChI=1S/C15H20N2O5S/c1-3-14(18)16-11-6-8-12(9-7-11)23(20,21)17-10-4-5-13(17)15(19)22-2/h6-9,13H,3-5,10H2,1-2H3,(H,16,18)/t13-/m0/s1 | | Definition date: | 2023-05-18 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | methyl (2~{S})-1-[4-(propanoylamino)phenyl]sulfonylpyrrolidine-2-carboxylate |
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 | | XBI | | Name: | (3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},7~{S},8~{a}~{S})-5,5,7,8~{a}-tetramethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione | | Formula: | C21 H33 N O4 | | SMILES: | C[CH]1CC(C)(C)[CH]2C[CH](O)C(=C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)[C]2(C)C1 | | InChi: | InChI=1S/C21H33NO4/c1-11-9-20(3,4)17-8-15(23)12(2)14(21(17,5)10-11)7-16(24)13-6-18(25)22-19(13)26/h11,13-17,23-24H,2,6-10H2,1,3-5H3,(H,22,25,26)/t11-,13+,14-,15-,16-,17-,21+/m0/s1 | | Definition date: | 2023-06-06 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | (3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},7~{S},8~{a}~{S})-5,5,7,8~{a}-tetramethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione |
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 | | XGX | | Name: | (1P)-2'-[(4-carbamimidoylphenyl)carbamoyl]-4'-ethenyl-4-[(2-methylpropyl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid | | Formula: | C28 H28 N4 O4 | | SMILES: | O=C(Nc1ccc(cc1)C(=N)N)c1cc(C=C)ccc1c1ccc(cc1C(=O)O)C(=O)NCC(C)C | | InChi: | InChI=1S/C28H28N4O4/c1-4-17-5-11-21(23(13-17)27(34)32-20-9-6-18(7-10-20)25(29)30)22-12-8-19(14-24(22)28(35)36)26(33)31-15-16(2)3/h4-14,16H,1,15H2,2-3H3,(H3,29,30)(H,31,33)(H,32,34)(H,35,36) | | Synonyms: | BCX2627 | | Definition date: | 2023-11-02 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | (1P)-2'-[(4-carbamimidoylphenyl)carbamoyl]-4'-ethenyl-4-[(2-methylpropyl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid |
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 | | GR2 | | Name: | (3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one | | Formula: | C17 H14 O5 | | SMILES: | c12CC3C(c1cccc2)OC(=O)C3=[C@H]OC4C=C(C)C(=O)O4 | | InChi: | InChI=1S/C17H14O5/c1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h2-6,8,12,14-15H,7H2,1H3/b13-8+/t12-,14-,15-/m1/s1 | | Definition date: | 2015-09-02 | | Last modified: | 2024-11-19 | | Release date: | 2015-10-28 | | Identifier: | (3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one |
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 | | VU4 | | Name: | 4-(2-aminoethyl)benzoic acid | | Formula: | C9 H11 N O2 | | SMILES: | C(=O)(O)c1ccc(cc1)CCN | | InChi: | InChI=1S/C9H11NO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6,10H2,(H,11,12) | | Definition date: | 2020-09-14 | | Last modified: | 2024-11-19 | | Release date: | 2021-10-06 | | Identifier: | 4-(2-aminoethyl)benzoic acid |
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 | | Y6F | | Name: | MMV009108 | | Formula: | C21 H25 N3 O2 S2 | | SMILES: | CCN(CC)S(=O)(=O)c1ccc(cc1)c1csc(Nc2ccc(C)c(C)c2)n1 | | InChi: | InChI=1S/C21H25N3O2S2/c1-5-24(6-2)28(25,26)19-11-8-17(9-12-19)20-14-27-21(23-20)22-18-10-7-15(3)16(4)13-18/h7-14H,5-6H2,1-4H3,(H,22,23) | | Synonyms: | 4-[2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]-N,N-diethylbenzene-1-sulfonamide | | Definition date: | 2023-11-21 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 4-[2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]-N,N-diethylbenzene-1-sulfonamide |
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 | | A1IGA | | Name: | Lansoprazole sulfide | | Formula: | C16 H14 F3 N3 O S | | SMILES: | Cc1c(CSc2[nH]c3ccccc3n2)nccc1OCC(F)(F)F | | InChi: | InChI=1S/C16H14F3N3OS/c1-10-13(20-7-6-14(10)23-9-16(17,18)19)8-24-15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22) | | Synonyms: | 2-[[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole | | Definition date: | 2024-06-27 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 2-[[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]methylsulfanyl]-1~{H}-benzimidazole |
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 | | YCR | | Name: | 3-(5-chloranylpyridin-3-yl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione | | Formula: | C21 H18 Cl N5 O4 | | SMILES: | Cn1nc(C)c(c1O)C(=O)c2ccc3N(C)C(=O)N(c4cncc(Cl)c4)C(=O)c3c2C | | InChi: | InChI=1S/C21H18ClN5O4/c1-10-14(18(28)17-11(2)24-26(4)19(17)29)5-6-15-16(10)20(30)27(21(31)25(15)3)13-7-12(22)8-23-9-13/h5-9,29H,1-4H3 | | Definition date: | 2023-11-29 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 3-(5-chloranylpyridin-3-yl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione |
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 | | YCZ | | Name: | ~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-3-propylsulfanyl-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide | | Formula: | C13 H13 F3 N8 O S | | SMILES: | CCCSc1nnc2n1c(ccc2C(=O)Nc3nnnn3C)C(F)(F)F | | InChi: | InChI=1S/C13H13F3N8OS/c1-3-6-26-12-20-18-9-7(4-5-8(24(9)12)13(14,15)16)10(25)17-11-19-21-22-23(11)2/h4-5H,3,6H2,1-2H3,(H,17,19,22,25) | | Definition date: | 2023-11-30 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | ~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-3-propylsulfanyl-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
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 | | YD2 | | Name: | 3-(4-fluorophenyl)-1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione | | Formula: | C23 H19 F N2 O5 | | SMILES: | CN1C(=O)N(C(=O)c2cc(C)c(cc12)C(=O)C3=C(O)CCCC3=O)c4ccc(F)cc4 | | InChi: | InChI=1S/C23H19FN2O5/c1-12-10-16-17(11-15(12)21(29)20-18(27)4-3-5-19(20)28)25(2)23(31)26(22(16)30)14-8-6-13(24)7-9-14/h6-11,27H,3-5H2,1-2H3 | | Definition date: | 2023-11-30 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 3-(4-fluorophenyl)-1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione |
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 | | YDF | | Name: | 4-(2-fluoranylethyl)-1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3~{H}-1,4-benzodiazepine-2,5-dione | | Formula: | C20 H21 F N2 O5 | | SMILES: | CN1C(=O)CN(CCF)C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O | | InChi: | InChI=1S/C20H21FN2O5/c1-11-12(19(27)18-14(24)4-3-5-15(18)25)6-7-13-17(11)20(28)23(9-8-21)10-16(26)22(13)2/h6-7,24H,3-5,8-10H2,1-2H3 | | Definition date: | 2023-11-30 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 4-(2-fluoranylethyl)-1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3~{H}-1,4-benzodiazepine-2,5-dione |
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 | | YFC | | Name: | 2-[[4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]-oxidanyl-methylidene]cyclohexane-1,3-dione | | Formula: | C24 H21 N O5 S | | SMILES: | Cc1ccc(cc1)C(=O)CN2C(=O)CSc3ccc(cc23)[C](O)=[C]4C(=O)C[CH2]CC4=O | | InChi: | InChI=1S/C24H21NO5S/c1-14-5-7-15(8-6-14)20(28)12-25-17-11-16(9-10-21(17)31-13-22(25)29)24(30)23-18(26)3-2-4-19(23)27/h5-11,30H,2-4,12-13H2,1H3 | | Definition date: | 2023-11-30 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 2-[[4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]-oxidanyl-methylidene]cyclohexane-1,3-dione |
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 | | A1AFE | | Name: | 11-[1-(1H-pyrrolo[3,2-c]pyridine-7-carbonyl)piperidin-4-ylidene]-6,11-dihydro-5H-5lambda~6~-dibenzo[b,e]thiepine-5,5-dione | | Formula: | C27 H23 N3 O3 S | | SMILES: | O=C(c1cncc2cc[NH]c21)N1CC/C(CC1)=C1/c2ccccc2S(=O)(=O)Cc2ccccc12 | | InChi: | InChI=1S/C27H23N3O3S/c31-27(23-16-28-15-19-9-12-29-26(19)23)30-13-10-18(11-14-30)25-21-6-2-1-5-20(21)17-34(32,33)24-8-4-3-7-22(24)25/h1-9,12,15-16,29H,10-11,13-14,17H2 | | Synonyms: | NZ-804 | | Definition date: | 2024-02-23 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 11-[1-(1H-pyrrolo[3,2-c]pyridine-7-carbonyl)piperidin-4-ylidene]-6,11-dihydro-5H-5lambda~6~-dibenzo[b,e]thiepine-5,5-dione |
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 | | A1H0U | | Name: | 7-methoxy-4,4-dimethyl-10~{H}-[1,3,5]triazino[1,2-a]benzimidazol-2-amine | | Formula: | C12 H15 N5 O | | SMILES: | COc1ccc2NC3=NC(=NC(C)(C)N3c2c1)N | | InChi: | InChI=1S/C12H15N5O/c1-12(2)16-10(13)15-11-14-8-5-4-7(18-3)6-9(8)17(11)12/h4-6H,1-3H3,(H3,13,14,15,16) | | Definition date: | 2023-12-18 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 7-methoxy-4,4-dimethyl-10~{H}-[1,3,5]triazino[1,2-a]benzimidazol-2-amine |
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 | | A1H0V | | Name: | 1-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]guanidine | | Formula: | C8 H7 Cl2 N5 | | SMILES: | NC(=N)Nc1[nH]c2cc(Cl)c(Cl)cc2n1 | | InChi: | InChI=1S/C8H7Cl2N5/c9-3-1-5-6(2-4(3)10)14-8(13-5)15-7(11)12/h1-2H,(H5,11,12,13,14,15) | | Definition date: | 2023-12-18 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 1-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]guanidine |
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 | | A1H0W | | Name: | 1-(5-methoxy-1~{H}-benzimidazol-2-yl)guanidine | | Formula: | C9 H11 N5 O | | SMILES: | COc1ccc2[nH]c(NC(N)=N)nc2c1 | | InChi: | InChI=1S/C9H11N5O/c1-15-5-2-3-6-7(4-5)13-9(12-6)14-8(10)11/h2-4H,1H3,(H5,10,11,12,13,14) | | Synonyms: | O-PHOSPHONO-D-THREONINE | | Definition date: | 2023-12-18 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 1-(5-methoxy-1~{H}-benzimidazol-2-yl)guanidine |
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 | | A1H1Z | | Name: | [1-[2-[2-[2-[2-[2-(dipyridin-2-ylamino)ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methyl ~{N}-[5-[[4-[5-[[4-[5-[ethanoyl(oxidanyl)amino]pentylamino]-4-oxidanylidene-butanoyl]-oxidanyl-amino]pentylamino]-4-oxidanylidene-butanoyl]-oxidanyl-amino]pentyl]carbamate | | Formula: | C49 H77 N13 O14 | | SMILES: | CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)OCc1cn(CCOCCOCCOCCNC(=O)CN(c2ccccn2)c3ccccn3)nn1 | | InChi: | InChI=1S/C49H77N13O14/c1-40(63)60(70)27-12-2-7-23-52-44(64)17-19-47(67)61(71)28-13-3-8-24-53-45(65)18-20-48(68)62(72)29-14-4-9-25-55-49(69)76-39-41-37-58(57-56-41)30-32-74-34-36-75-35-33-73-31-26-54-46(66)38-59(42-15-5-10-21-50-42)43-16-6-11-22-51-43/h5-6,10-11,15-16,21-22,37,70-72H,2-4,7-9,12-14,17-20,23-36,38-39H2,1H3,(H,52,64)(H,53,65)(H,54,66)(H,55,69) | | Definition date: | 2024-01-09 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | [1-[2-[2-[2-[2-[2-(dipyridin-2-ylamino)ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methyl ~{N}-[5-[[4-[5-[[4-[5-[ethanoyl(oxidanyl)amino]pentylamino]-4-oxidanylidene-butanoyl]-oxidanyl-amino]pentylamino]-4-oxidanylidene-butanoyl]-oxidanyl-amino]pentyl]carbamate |
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 | | A1A1L | | Name: | (4S,5aS,8S,8aR)-N-[(1R,4R,6Z,8R,9R,10R,11R,12S,13R)-4-fluoro-11,12,13-trihydroxy-8-methyl-14-oxa-2-thiabicyclo[8.3.1]tetradec-6-en-9-yl]-4-(2-methylpropyl)octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name) | | Formula: | C26 H43 F N2 O6 S | | SMILES: | CC(C)CC1CC2CNC(C2OCC1)C(=O)NC1C2OC(SCC(F)CC=CC1C)C(O)C(O)C2O | | InChi: | InChI=1S/C26H43FN2O6S/c1-13(2)9-15-7-8-34-23-16(10-15)11-28-19(23)25(33)29-18-14(3)5-4-6-17(27)12-36-26-22(32)20(30)21(31)24(18)35-26/h4-5,13-24,26,28,30-32H,6-12H2,1-3H3,(H,29,33)/b5-4-/t14-,15+,16+,17-,18-,19+,20+,21-,22-,23-,24-,26-/m1/s1 | | Definition date: | 2024-08-08 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | (4S,5aS,8S,8aR)-N-[(1R,4R,6Z,8R,9R,10R,11R,12S,13R)-4-fluoro-11,12,13-trihydroxy-8-methyl-14-oxa-2-thiabicyclo[8.3.1]tetradec-6-en-9-yl]-4-(2-methylpropyl)octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name) |
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 | | HHU | | Name: | [(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-formamido-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | | Formula: | C10 H14 N3 O9 P | | SMILES: | O[CH]1[CH](CO[P](O)(O)=O)O[CH]([CH]1NC=O)N2C=CC(=O)NC2=O | | InChi: | InChI=1S/C10H14N3O9P/c14-4-11-7-8(16)5(3-21-23(18,19)20)22-9(7)13-2-1-6(15)12-10(13)17/h1-2,4-5,7-9,16H,3H2,(H,11,14)(H,12,15,17)(H2,18,19,20)/t5-,7-,8-,9-/m1/s1 | | Definition date: | 2021-01-13 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-formamido-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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 | | OO0 | | Name: | ALLIIN | | Formula: | C6 H11 N O3 S | | SMILES: | N[CH](C[S](=O)CC=C)C(O)=O | | InChi: | InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11+/m0/s1 | | Synonyms: | 2-azanyl-3-prop-2-enylsulfinyl-propanoic acid | | Definition date: | 2024-01-22 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 2-azanyl-3-prop-2-enylsulfinyl-propanoic acid |
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