 | | 9YL | | Name: | ethyl (2R)-2-oxidanylpropanoate | | Formula: | C5 H10 O3 | | SMILES: | CCOC(=O)[CH](C)O | | InChi: | InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3/t4-/m1/s1 | | Synonyms: | Ethyl lactate | | Definition date: | 2018-08-30 | | Last modified: | 2021-03-01 | | Release date: | 2019-02-27 | | Identifier: | ethyl (2~{R})-2-oxidanylpropanoate |
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 | | 9Z1 | | Name: | (3E,7aR,12aS)-6-hydroxy-3-[(1H-imidazol-4-yl)methylidene]-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione | | Formula: | C23 H23 N5 O4 | | SMILES: | CC(C)(C35C2(NC(C(=C/c1cncn1)N2C(C(=C3)O)=O)=O)N(c4ccccc45)OC)/C=C | | InChi: | InChI=1S/C23H23N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-13,29H,1H2,2-4H3,(H,24,25)(H,26,30)/b17-10+/t22-,23-/m0/s1 | | Synonyms: | Meleagrin | | Definition date: | 2017-06-27 | | Last modified: | 2021-03-01 | | Release date: | 2018-06-27 | | Identifier: | (3E,7aR,12aS)-6-hydroxy-3-[(1H-imidazol-4-yl)methylidene]-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione |
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 | | A02 | | Name: | (10R,20R,23R)-10-(4-aminobutyl)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide | | Formula: | C40 H70 N18 O9 | | SMILES: | O=C(N)C(NC(=O)C(NC(=O)CCCCCNC(=O)C(NC(=O)CCCCCNC(=O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O)CCCCN)CCCNC(=[N@H])N)CCCNC(=[N@H])N | | InChi: | InChI=1S/C40H70N18O9/c41-16-6-5-11-24(55-26(59)14-4-2-8-18-49-37(66)31-29(61)30(62)38(67-31)58-22-54-28-32(42)52-21-53-34(28)58)35(64)48-17-7-1-3-15-27(60)56-25(13-10-20-51-40(46)47)36(65)57-23(33(43)63)12-9-19-50-39(44)45/h21-25,29-31,38,61-62H,1-20,41H2,(H2,43,63)(H,48,64)(H,49,66)(H,55,59)(H,56,60)(H,57,65)(H2,42,52,53)(H4,44,45,50)(H4,46,47,51)/t23-,24-,25-,29+,30-,31+,38-/m1/s1 | | Synonyms: | ARC-1012 | | Definition date: | 2010-05-27 | | Last modified: | 2021-03-01 | | Identifier: | (10R,20R,23R)-10-(4-aminobutyl)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide (non-preferred name) |
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 | | A15 | | Name: | 3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-1-ONE | | Formula: | C24 H14 Cl2 O4 | | SMILES: | Clc1c(O)ccc(c1)C4(OC(=O)c2c3c(ccc2)cccc34)c5ccc(O)c(Cl)c5 | | InChi: | InChI=1S/C24H14Cl2O4/c25-18-11-14(7-9-20(18)27)24(15-8-10-21(28)19(26)12-15)17-6-2-4-13-3-1-5-16(22(13)17)23(29)30-24/h1-12,27-28H | | Synonyms: | A156 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 3,3-bis(3-chloro-4-hydroxyphenyl)-1H,3H-benzo[de]isochromen-1-one |
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 | | A1F | | Name: | 1-(2-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide | | Formula: | C20 H23 F N2 O3 S | | SMILES: | c1(c(F)cc(C)cc1)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O | | InChi: | InChI=1S/C20H23FN2O3S/c1-3-10-23-19-8-7-17(12-15(19)6-9-20(23)24)22-27(25,26)13-16-5-4-14(2)11-18(16)21/h4-5,7-8,11-12,22H,3,6,9-10,13H2,1-2H3 | | Synonyms: | AMF1alpha | | Definition date: | 2017-05-15 | | Last modified: | 2021-03-01 | | Release date: | 2017-11-15 | | Identifier: | 1-(2-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide |
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 | | A24 | | Name: | (3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE | | Formula: | C19 H27 N3 O10 | | SMILES: | [O-][N+](=O)c3cc(OC1OC(C(O)C(O)C1O)CO)cc(C(=O)NCCN2CCOCC2)c3 | | InChi: | InChI=1S/C19H27N3O10/c23-10-14-15(24)16(25)17(26)19(32-14)31-13-8-11(7-12(9-13)22(28)29)18(27)20-1-2-21-3-5-30-6-4-21/h7-9,14-17,19,23-26H,1-6,10H2,(H,20,27)/t14-,15+,16+,17-,19+/m1/s1 | | Synonyms: | BMSC-0011 | | Definition date: | 2001-08-16 | | Last modified: | 2021-03-01 | | Identifier: | 3-(alpha-D-galactopyranosyloxy)-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide |
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 | | A26 | | Name: | (2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide | | Formula: | C12 H9 F3 N2 O2 | | SMILES: | O=C(Nc1ccc(cc1)C(F)(F)F)C(/C#N)=C(O)C | | InChi: | InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7- | | Synonyms: | ANTIPROLIFERATIVE AGENT A771726 | | Definition date: | 1999-10-01 | | Last modified: | 2021-03-01 | | Identifier: | (2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide |
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 | | A2D | | Name: | BIS{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL} DIHYDROGEN DIPHOSPHATE | | Formula: | C20 H26 N10 O13 P2 | | SMILES: | O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O | | InChi: | InChI=1S/C20H26N10O13P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(41-19)1-39-44(35,36)43-45(37,38)40-2-8-12(32)14(34)20(42-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 | | Synonyms: | BIS(ADENOSINE)-5'-DIPHOSPHATE | | Definition date: | 2006-10-25 | | Last modified: | 2021-03-01 | | Identifier: | bis{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} dihydrogen diphosphate (non-preferred name) |
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 | | A2F | | Name: | 2-fluoroadenine | | Formula: | C5 H4 F N5 | | SMILES: | Fc1nc(c2c(n1)ncn2)N | | InChi: | InChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11) | | Synonyms: | 2-fluoro-7H-purin-6-amine | | Definition date: | 2009-02-20 | | Last modified: | 2021-03-01 | | Identifier: | 2-fluoro-7H-purin-6-amine |
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 | | A2N | | Name: | [(2R,3S,4R,5R)-4-(acetylamino)-3,5-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | | Formula: | C17 H26 N6 O14 P2 | | SMILES: | O=C(NC1C(O)C(OC1O)COP(=O)(O)OP(=O)(OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O)O)C | | InChi: | InChI=1S/C17H26N6O14P2/c1-6(24)22-9-11(25)7(36-17(9)28)2-33-38(29,30)37-39(31,32)34-3-8-12(26)13(27)16(35-8)23-5-21-10-14(18)19-4-20-15(10)23/h4-5,7-9,11-13,16-17,25-28H,2-3H2,1H3,(H,22,24)(H,29,30)(H,31,32)(H2,18,19,20)/t7-,8-,9-,11-,12-,13-,16-,17-/m1/s1 | | Synonyms: | 2'-N-Acetyl ADP ribose | | Definition date: | 2010-11-16 | | Last modified: | 2021-03-01 | | Identifier: | [(2R,3S,4R,5R)-4-(acetylamino)-3,5-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | GGM | | Name: | 3'-O-(N-methylanthraniloyl)-beta:gamma-imidoguanosine-5'-triphosphate | | Formula: | C18 H24 N7 O14 P3 | | SMILES: | O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c2N=C(N)NC1=O)C(O)C4OC(=O)c3ccccc3NC | | InChi: | InChI=1S/C18H24N7O14P3/c1-20-9-5-3-2-4-8(9)17(28)38-13-10(6-36-42(34,35)39-41(32,33)24-40(29,30)31)37-16(12(13)26)25-7-21-11-14(25)22-18(19)23-15(11)27/h2-5,7,10,12-13,16,20,26H,6H2,1H3,(H,34,35)(H3,19,22,23,27)(H4,24,29,30,31,32,33)/t10-,12-,13-,16-/m1/s1 | | Synonyms: | MANT-GMPPNP | | Definition date: | 2011-08-03 | | Last modified: | 2021-03-01 | | Identifier: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3'-O-[2-(methylamino)benzoyl]guanosine |
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 | | GHA | | Name: | 1'-((1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL)-4-N-AMMONIUM)-1'-DEOXY-L-ERYTHRITOL-3'-SULFATE INNER SALT | | Formula: | C9 H18 N O9 S | | SMILES: | [O-]S([O-])([O-])OC(C(O)CN1C(C(O)C(O)C1)CO)CO | | InChi: | InChI=1S/C9H21NO9S/c11-3-5-9(15)7(14)2-10(5)1-6(13)8(4-12)19-20(16,17)18/h5-9,11-18H,1-4H2/p-3/t5-,6-,7-,8?,9-/m1/s1 | | Synonyms: | GHAVAMIOL | | Definition date: | 2004-06-22 | | Last modified: | 2021-03-01 | | Identifier: | ({[(1S,2R)-3-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide |
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 | | GKM | | Name: | 1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | | Formula: | C39 H52 N6 O9 S | | SMILES: | C4CC(C(N6CC(Oc2nc1cc(OC)ccc1nc2C)CC6C(NC3(C(C3)C=CCCC4)C(NS(C5(C)CC5)(=O)=O)=O)=O)=O)NC(OC7(C)CCCC7)=O | | InChi: | InChI=1S/C39H52N6O9S/c1-24-33(41-30-20-26(52-4)14-15-28(30)40-24)53-27-21-31-32(46)43-39(35(48)44-55(50,51)38(3)18-19-38)22-25(39)12-8-6-5-7-9-13-29(34(47)45(31)23-27)42-36(49)54-37(2)16-10-11-17-37/h8,12,14-15,20,25,27,29,31H,5-7,9-11,13,16-19,21-23H2,1-4H3,(H,42,49)(H,43,46)(H,44,48)/b12-8-/t25-,27-,29+,31+,39-/m1/s1 | | Synonyms: | P4-3(AJ-74) | | Definition date: | 2018-05-24 | | Last modified: | 2021-03-01 | | Release date: | 2019-07-31 | | Identifier: | 1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
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 | | GM6 | | Name: | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE | | Formula: | C20 H28 N4 O4 | | SMILES: | O=C(NO)CC(C(=O)NC(C(=O)NC)Cc2c1ccccc1nc2)CC(C)C | | InChi: | InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 | | Synonyms: | GM6001 | | Definition date: | 2003-07-03 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-N~4~-hydroxy-N~1~-[(1S)-1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-oxoethyl]-2-(2-methylpropyl)butanediamide |
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 | | GMN | | Name: | 2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-TRIETHYLETHANAMINIUM] | | Formula: | C30 H60 N3 O3 | | SMILES: | O(c1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)CC[N+](CC)(CC)CC | | InChi: | InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3 | | Synonyms: | GALLAMINE | | Definition date: | 2002-12-11 | | Last modified: | 2021-03-01 | | Identifier: | 2,2',2''-[benzene-1,2,3-triyltris(oxy)]tris(N,N,N-triethylethanaminium) |
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 | | GN0 | | Name: | (2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one | | Formula: | C25 H23 Cl N2 O3 S2 | | SMILES: | OC1=C(Sc2ccccc2Cl)C(=O)N[C](C1)(c3cscc3)c4ccc(cc4)N5CCOCC5 | | InChi: | InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m1/s1 | | Synonyms: | inhibitor GNE-140 | | Definition date: | 2015-05-19 | | Last modified: | 2021-03-01 | | Release date: | 2016-05-18 | | Identifier: | (2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one |
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 | | GPI | | Name: | (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE | | Formula: | C20 H28 N2 O4 | | SMILES: | O=C(OCCCc1cccnc1)C2N(C(=O)C(=O)C(C)(C)CC)CCC2 | | InChi: | InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1 | | Synonyms: | GPI-1046 | | Definition date: | 2000-06-16 | | Last modified: | 2021-03-01 | | Identifier: | 3-pyridin-3-ylpropyl 1-(3,3-dimethyl-2-oxopentanoyl)-L-prolinate |
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 | | GTA | | Name: | P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE | | Formula: | C21 H30 N10 O17 P3 | | SMILES: | O=C1NC(=Nc2c1[n+](cn2C3OC(C(O)C3O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)N | | InChi: | InChI=1S/C21H29N10O17P3/c1-29-6-31(17-10(29)18(36)28-21(23)27-17)20-14(35)12(33)8(46-20)3-44-50(39,40)48-51(41,42)47-49(37,38)43-2-7-11(32)13(34)19(45-7)30-5-26-9-15(22)24-4-25-16(9)30/h4-8,11-14,19-20,32-35H,2-3H2,1H3,(H7-,22,23,24,25,27,28,36,37,38,39,40,41,42)/p+1/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 | | Synonyms: | 7-METHYL-GPPPA | | Definition date: | 2001-05-16 | | Last modified: | 2021-03-01 | | Identifier: | 2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium (non-preferred name) |
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 | | 8X3 | | Name: | 2-hydroxyethylsulfonic acid | | Formula: | C2 H6 O4 S | | SMILES: | OCC[S](O)(=O)=O | | InChi: | InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6) | | Synonyms: | 2-oxidanylethanesulfonic acid | | Definition date: | 2017-10-30 | | Last modified: | 2021-03-01 | | Release date: | 2019-02-13 | | Identifier: | 2-oxidanylethanesulfonic acid |
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 | | 903 | | Name: | 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-METHOXYCARBONYL-PHENYL}-2-FLUORO-MALONIC ACID | | Formula: | C35 H36 F N3 O9 | | SMILES: | O=C(O)C(F)(C(=O)O)c1c(C(=O)OC)cc(cc1)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4 | | InChi: | InChI=1S/C35H36FN3O9/c1-21(40)37-29(19-23-13-16-27(26(18-23)32(43)48-2)35(36,33(44)45)34(46)47)30(41)38-28-10-6-7-17-39(31(28)42)20-22-11-14-25(15-12-22)24-8-4-3-5-9-24/h3-5,8-9,11-16,18,28-29H,6-7,10,17,19-20H2,1-2H3,(H,37,40)(H,38,41)(H,44,45)(H,46,47)/t28-,29-/m0/s1 | | Synonyms: | RU90395 | | Definition date: | 2003-06-20 | | Last modified: | 2021-03-01 | | Identifier: | {4-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxopropyl]-2-(methoxycarbonyl)phenyl}(fluoro)propanedioic acid |
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 | | 907 | | Name: | 2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE | | Formula: | C16 H14 Br N3 O | | SMILES: | Brc3cc(cc(c2cc1cc(ccc1n2)C(=[NH2+])N)c3[O-])C | | InChi: | InChI=1S/C16H14BrN3O/c1-8-4-11(15(21)12(17)5-8)14-7-10-6-9(16(18)19)2-3-13(10)20-14/h2-7,20-21H,1H3,(H3,18,19) | | Synonyms: | CRA_9076 | | Definition date: | 2003-03-14 | | Last modified: | 2021-03-01 | | Identifier: | 2-{5-[amino(iminio)methyl]-1H-indol-2-yl}-6-bromo-4-methylphenolate |
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 | | 917 | | Name: | N-({(5S)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide | | Formula: | C15 H15 N3 O3 S | | SMILES: | c2cc(c1cncs1)ccc2N3CC(CNC(C)=O)OC3=O | | InChi: | InChI=1S/C15H15N3O3S/c1-10(19)17-6-13-8-18(15(20)21-13)12-4-2-11(3-5-12)14-7-16-9-22-14/h2-5,7,9,13H,6,8H2,1H3,(H,17,19)/t13-/m0/s1 | | Synonyms: | Llinezolid-114 | | Definition date: | 2017-03-24 | | Last modified: | 2021-03-01 | | Release date: | 2017-09-20 | | Identifier: | N-({(5S)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide |
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 | | 91P | | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate | | Formula: | C20 H30 N8 O18 P3 | | SMILES: | C(OP(OP(OP(OCC1C(O)C(C(O1)[n+]2cn(C)c3c2N=C(NC3=O)N)O)(O)=O)(O)=O)(O)=O)C4C(C(C(O4)N5C=CC(=NC5=O)N)O)O | | InChi: | InChI=1S/C20H29N8O18P3/c1-26-6-28(15-10(26)16(33)25-19(22)24-15)18-14(32)12(30)8(44-18)5-42-48(37,38)46-49(39,40)45-47(35,36)41-4-7-11(29)13(31)17(43-7)27-3-2-9(21)23-20(27)34/h2-3,6-8,11-14,17-18,29-32H,4-5H2,1H3,(H7-,21,22,23,24,25,33,34,35,36,37,38,39,40)/p+1/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1 | | Synonyms: | dinucleotide triphosphate cap analog m7GpppC | | Definition date: | 2017-03-27 | | Last modified: | 2021-03-01 | | Release date: | 2017-04-19 | | Identifier: | 2-amino-9-[(2R,3R,4S,5R)-5-({[(S)-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,7-dihydro-1H-purin-9-ium (non-preferred name) |
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 | | 923 | | Name: | (5Z)-4-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}furan-2(5H)-one | | Formula: | C27 H28 O7 | | SMILES: | O=C3O/C(C(O)=C3c2cc1c(OC(C(O)(C)C)C1)cc2)=Cc5ccc4OC(C(O)(C)C)Cc4c5 | | InChi: | InChI=1S/C27H28O7/c1-26(2,30)21-12-16-9-14(5-7-18(16)32-21)10-20-24(28)23(25(29)34-20)15-6-8-19-17(11-15)13-22(33-19)27(3,4)31/h5-11,21-22,28,30-31H,12-13H2,1-4H3/b20-10-/t21-,22-/m1/s1 | | Synonyms: | Aspulvinone J-CR | | Definition date: | 2011-04-28 | | Last modified: | 2021-03-01 | | Identifier: | (5Z)-4-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}furan-2(5H)-one |
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 | | 941 | | Name: | 2-(4-{2-TERT-BUTOXYCARBONYLAMINO-2-[4-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-PHENOXY)-MALONIC ACID | | Formula: | C29 H36 N2 O12 | | SMILES: | O=C(O)C(Oc1ccc(cc1)CC(NC(=O)OC(C)(C)C)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)C(=O)O | | InChi: | InChI=1S/C29H36N2O12/c1-29(2,3)43-28(39)31-19(16-17-10-12-18(13-11-17)42-23(25(34)35)26(36)37)24(33)30-14-5-6-15-41-21-9-7-8-20(32)22(21)27(38)40-4/h7-13,19,23,32H,5-6,14-16H2,1-4H3,(H,30,33)(H,31,39)(H,34,35)(H,36,37)/t19-/m0/s1 | | Synonyms: | COMPOUND 15 | | Definition date: | 2003-07-22 | | Last modified: | 2021-03-01 | | Identifier: | {4-[(2S)-2-[(tert-butoxycarbonyl)amino]-3-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}amino)-3-oxopropyl]phenoxy}propanedioic acid |
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