 | | A1H6E | | Name: | 7-[(2-chloranyl-1,3-benzothiazol-6-yl)sulfonyl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-7-azaspiro[3.5]nonan-2-amine | | Formula: | C28 H27 Cl2 N3 O2 S2 | | SMILES: | Clc1sc2cc(ccc2n1)[S](=O)(=O)N3CCC4(CC3)CC(C4)NCc5ccc(c(Cl)c5)c6ccccc6 | | InChi: | InChI=1S/C28H27Cl2N3O2S2/c29-24-14-19(6-8-23(24)20-4-2-1-3-5-20)18-31-21-16-28(17-21)10-12-33(13-11-28)37(34,35)22-7-9-25-26(15-22)36-27(30)32-25/h1-9,14-15,21,31H,10-13,16-18H2 | | Synonyms: | GW2331 | | Definition date: | 2024-03-20 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | 7-[(2-chloranyl-1,3-benzothiazol-6-yl)sulfonyl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-7-azaspiro[3.5]nonan-2-amine |
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 | | WJ9 | | Name: | (3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide | | Formula: | C26 H34 F3 N5 O3 | | SMILES: | C[CH](CO)Nc1cc(cc(n1)N2CCOCC2)c3cc(NC(=O)N4CC[CH](C4)CC(F)(F)F)ccc3C | | InChi: | InChI=1S/C26H34F3N5O3/c1-17-3-4-21(31-25(36)34-6-5-19(15-34)14-26(27,28)29)13-22(17)20-11-23(30-18(2)16-35)32-24(12-20)33-7-9-37-10-8-33/h3-4,11-13,18-19,35H,5-10,14-16H2,1-2H3,(H,30,32)(H,31,36)/t18-,19+/m1/s1 | | Definition date: | 2023-10-05 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | (3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide |
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 | | WX0 | | Name: | 1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one | | Formula: | C23 H22 F3 N5 O | | SMILES: | C[CH]1C[C](C1)(c2cccc(c2)C3=Cc4c(NC3=O)n(C)cc4C(F)(F)F)c5nncn5C | | InChi: | InChI=1S/C23H22F3N5O/c1-13-9-22(10-13,21-29-27-12-31(21)3)15-6-4-5-14(7-15)16-8-17-18(23(24,25)26)11-30(2)19(17)28-20(16)32/h4-8,11-13H,9-10H2,1-3H3,(H,28,32)/t13-,22+ | | Definition date: | 2023-10-17 | | Last modified: | 2024-01-05 | | Release date: | 2024-01-10 | | Identifier: | 1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7~{H}-pyrrolo[2,3-b]pyridin-6-one |
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 | | QHD | | Name: | (2~{R})-2-[(2~{R})-2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanyl-2-phosphonooxy-ethyl]-2-oxidanyl-butanedioic acid | | Formula: | C27 H45 N7 O26 P4 S | | SMILES: | CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCS[C](O)(C[C](O)(CC(O)=O)C(O)=O)O[P](O)(O)=O | | InChi: | InChI=1S/C27H45N7O26P4S/c1-25(2,19(39)22(40)30-4-3-14(35)29-5-6-65-27(44,59-62(48,49)50)9-26(43,24(41)42)7-15(36)37)10-56-64(53,54)60-63(51,52)55-8-13-18(58-61(45,46)47)17(38)23(57-13)34-12-33-16-20(28)31-11-32-21(16)34/h11-13,17-19,23,38-39,43-44H,3-10H2,1-2H3,(H,29,35)(H,30,40)(H,36,37)(H,41,42)(H,51,52)(H,53,54)(H2,28,31,32)(H2,45,46,47)(H2,48,49,50)/t13-,17+,18+,19+,23+,26-,27-/m1/s1 | | Definition date: | 2019-11-04 | | Last modified: | 2023-09-18 | | Release date: | 2019-12-25 | | Identifier: | (2~{R})-2-[(2~{R})-2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanyl-2-phosphonooxy-ethyl]-2-oxidanyl-butanedioic acid |
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 | | U1J | | Name: | 5-bromo-3-[(4-methyl-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde | | Formula: | C14 H11 Br N2 O4 | | SMILES: | O=Cc1ncc(Br)cc1OCc1ccc(C)c(c1)[N+]([O-])=O | | InChi: | InChI=1S/C14H11BrN2O4/c1-9-2-3-10(4-13(9)17(19)20)8-21-14-5-11(15)6-16-12(14)7-18/h2-7H,8H2,1H3 | | Definition date: | 2022-08-02 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | 5-bromo-3-[(4-methyl-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde |
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 | | I9R | | Name: | 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole | | Formula: | C10 H9 N3 O2 S | | SMILES: | COc1ccc(OC)c2n3cnnc3sc12 | | InChi: | InChI=1S/C10H9N3O2S/c1-14-6-3-4-7(15-2)9-8(6)13-5-11-12-10(13)16-9/h3-5H,1-2H3 | | Definition date: | 2022-03-03 | | Last modified: | 2023-01-20 | | Release date: | 2023-01-25 | | Identifier: | 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
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 | | IIW | | Name: | 6-bromanyl-~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide | | Formula: | C24 H26 Br N7 O4 | | SMILES: | COCCNc1cc(NC(=O)c2cn(CCN3CCOCC3)c4cc(Br)c(C=O)nc24)ncc1C#N | | InChi: | InChI=1S/C24H26BrN7O4/c1-35-7-2-27-19-11-22(28-13-16(19)12-26)30-24(34)17-14-32(4-3-31-5-8-36-9-6-31)21-10-18(25)20(15-33)29-23(17)21/h10-11,13-15H,2-9H2,1H3,(H2,27,28,30,34) | | Definition date: | 2022-07-01 | | Last modified: | 2022-11-11 | | Release date: | 2022-11-16 | | Identifier: | 6-bromanyl-~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide |
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 | | M4X | | Name: | 5-cyano-~{N}-methyl-pyrazolo[1,5-a]pyridine-3-carboxamide | | Formula: | C10 H8 N4 O | | SMILES: | CNC(=O)c1cnn2ccc(cc12)C#N | | InChi: | InChI=1S/C10H8N4O/c1-12-10(15)8-6-13-14-3-2-7(5-11)4-9(8)14/h2-4,6H,1H3,(H,12,15) | | Definition date: | 2022-07-22 | | Last modified: | 2022-09-09 | | Release date: | 2022-09-14 | | Identifier: | 5-cyano-~{N}-methyl-pyrazolo[1,5-a]pyridine-3-carboxamide |
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 | | HT9 | | Name: | coproporphyrin III | | Formula: | C36 H38 N4 O8 | | SMILES: | Cc1c(CCC(O)=O)c2[nH]c1cc3nc(cc4nc(cc5[nH]c(c2)c(CCC(O)=O)c5C)c(CCC(O)=O)c4C)c(CCC(O)=O)c3C | | InChi: | InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h13-16,38,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- | | Definition date: | 2021-02-01 | | Last modified: | 2022-06-17 | | Release date: | 2022-06-22 | | Identifier: | 3-[(1~{Z},14~{Z})-8,13,18-tris(3-hydroxy-3-oxopropyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoic acid |
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 | | GHU | | Name: | ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoate | | Formula: | C20 H28 N4 O4 | | SMILES: | CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)OCC | | InChi: | InChI=1S/C20H28N4O4/c1-3-15-18(19(21)24-20(22)23-15)28-13-7-12-27-16-9-6-5-8-14(16)10-11-17(25)26-4-2/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H4,21,22,23,24) | | Definition date: | 2021-12-21 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoate |
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 | | Q9H | | Name: | (2~{R},3~{R},4~{S},5~{R})-2-[6-azanyl-8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-(2-azanylethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol | | Formula: | C25 H31 N11 O8 | | SMILES: | NCCNc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O | | InChi: | InChI=1S/C25H31N11O8/c26-3-4-28-21-15-22(31-9-30-21)35(10-33-15)24-18(40)17(39)12(44-24)7-42-5-1-2-13-34-14-20(27)29-8-32-23(14)36(13)25-19(41)16(38)11(6-37)43-25/h8-12,16-19,24-25,37-41H,3-7,26H2,(H2,27,29,32)(H,28,30,31)/t11-,12-,16-,17-,18-,19-,24-,25-/m1/s1 | | Definition date: | 2020-05-28 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | (2~{R},3~{R},4~{S},5~{R})-2-[6-azanyl-8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-(2-azanylethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol |
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 | | 82R | | Name: | (1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol | | Formula: | C27 H44 O4 | | SMILES: | C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC[CH]6C[CH](O)CC[C]6(C)[CH]5C[CH](O)[C]4(C)[CH]3[CH]2C | | InChi: | InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,23-,24+,25+,26-,27-/m1/s1 | | Synonyms: | rockogenin | | Definition date: | 2017-03-28 | | Last modified: | 2021-03-01 | | Release date: | 2017-06-07 | | Identifier: | (1~{R},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},10~{R},12~{S},13~{S},16~{S},18~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol |
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 | | EWH | | Name: | ~{N}-[2-[[5-chloranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide | | Formula: | C24 H26 Cl N7 O | | SMILES: | CN1CCN(CC1)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4NC(=O)C=C)n3)cc2 | | InChi: | InChI=1S/C24H26ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h3-11,16H,1,12-15H2,2H3,(H,28,33)(H2,26,27,29,30) | | Synonyms: | SM1-71 | | Definition date: | 2018-04-27 | | Last modified: | 2021-03-01 | | Release date: | 2019-02-27 | | Identifier: | ~{N}-[2-[[5-chloranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide |
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 | | L7H | | Name: | ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3~{S})-oxolan-3-yl]oxy-quinazolin-4-amine | | Formula: | C23 H25 F3 N4 O3 | | SMILES: | COc1cc2nc(C)nc(N[CH](C)c3cc(N)cc(c3)C(F)(F)F)c2cc1O[CH]4CCOC4 | | InChi: | InChI=1S/C23H25F3N4O3/c1-12(14-6-15(23(24,25)26)8-16(27)7-14)28-22-18-9-21(33-17-4-5-32-11-17)20(31-3)10-19(18)29-13(2)30-22/h6-10,12,17H,4-5,11,27H2,1-3H3,(H,28,29,30)/t12-,17+/m1/s1 | | Definition date: | 2019-07-24 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3~{S})-oxolan-3-yl]oxy-quinazolin-4-amine |
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 | | MA8 | | Name: | (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside | | Formula: | C15 H28 N2 O11 S | | SMILES: | O=C(NC2C(O)C(O)C(OC2OC1C(O)C(O)C(O)C(O)C1O)CO)C(N)CS | | InChi: | InChI=1S/C15H28N2O11S/c16-3(2-29)14(26)17-5-7(20)6(19)4(1-18)27-15(5)28-13-11(24)9(22)8(21)10(23)12(13)25/h3-13,15,18-25,29H,1-2,16H2,(H,17,26)/t3-,4+,5+,6+,7+,8-,9-,10+,11+,12+,13-,15+/m0/s1 | | Synonyms: | (2S,3R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL 2-(L-CYSTEINYLAMINO)-2-DEOXY-ALPHA-L-GLUCOPYRANOSIDE | | Definition date: | 2005-09-26 | | Last modified: | 2020-07-17 | | Identifier: | (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside |
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 | | FCT | | Name: | DEOXY-2-FLUORO-B-D-CELLOTRIOSIDE | | Formula: | C18 H31 F O15 | | SMILES: | FC3C(O)C(OC2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO)C(OC3O)CO | | InChi: | InChI=1S/C18H31FO15/c19-7-9(24)14(5(2-21)30-16(7)29)33-18-13(28)11(26)15(6(3-22)32-18)34-17-12(27)10(25)8(23)4(1-20)31-17/h4-18,20-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16+,17+,18+/m1/s1 | | Definition date: | 1999-09-22 | | Last modified: | 2020-07-17 | | Identifier: | beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-2-deoxy-2-fluoro-alpha-D-glucopyranose |
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 | | P9E | | Name: | 2-sulfanylidene-3~{H}-1,3-benzoxazole-5-sulfonamide | | Formula: | C7 H6 N2 O3 S2 | | SMILES: | N[S](=O)(=O)c1ccc2OC(=S)Nc2c1 | | InChi: | InChI=1S/C7H6N2O3S2/c8-14(10,11)4-1-2-6-5(3-4)9-7(13)12-6/h1-3H,(H,9,13)(H2,8,10,11) | | Definition date: | 2020-04-18 | | Last modified: | 2020-06-26 | | Release date: | 2020-07-01 | | Identifier: | 2-sulfanylidene-3~{H}-1,3-benzoxazole-5-sulfonamide |
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 | | CPS | | Name: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE | | Formula: | C32 H58 N2 O7 S | | SMILES: | [O-]S(=O)(=O)CCC[N+](C)(C)CCCNC(=O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C | | InChi: | InChI=1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21-,22+,23-,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1 | | Synonyms: | CHAPS | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 3-[dimethyl(3-{[(3beta,5alpha,7alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]propane-1-sulfonate |
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 | | 0BU | | Name: | 8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic
acid | | Formula: | C35 H26 N4 O21 S6 | | SMILES: | O=S(=O)(O)c1c2c(cc(c1)S(=O)(=O)O)c(ccc2NC(=O)c3cc(ccc3)NC(=O)Nc4cccc(c4)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | | InChi: | InChI=1S/C35H26N4O21S6/c40-33(38-25-7-9-27(63(49,50)51)23-13-21(61(43,44)45)15-29(31(23)25)65(55,56)57)17-3-1-5-19(11-17)36-35(42)37-20-6-2-4-18(12-20)34(41)39-26-8-10-28(64(52,53)54)24-14-22(62(46,47)48)16-30(32(24)26)66(58,59)60/h1-16H,(H,38,40)(H,39,41)(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60) | | Synonyms: | NF023 | | Definition date: | 2011-11-23 | | Last modified: | 2020-06-17 | | Identifier: | 8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic acid |
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 | | ERN | | Name: | (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-AMINO-6-{[(2S,3R,4S,6R)-4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PY
RAN-2-YL]OXY}-14-ETHYL-7,12,13-TRIHYDROXY-4-{[(2R,4R,5S,6S)-5-HYDROXY-4-METHOXY-4,6-DIMETHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY
}-3,5,7,9,11,13-HEXAMETHYLOXACYCLOTETRADECAN-2-ONE | | Formula: | C37 H70 N2 O12 | | SMILES: | O=C3OC(CC)C(O)(C)C(O)C(C)C(N)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1O)C(C(OC2OC(C(O)C(OC)(C2)C)C)C3C)C | | InChi: | InChI=1S/C37H70N2O12/c1-14-25-37(10,45)30(41)20(4)27(38)18(2)16-35(8,44)32(51-34-28(40)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-32,34,40-42,44-45H,14-17,38H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,27+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 | | Synonyms: | ERYTHROMYCYLAMINE | | Definition date: | 2006-12-18 | | Last modified: | 2020-06-17 | | Identifier: | (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-amino-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one (non-preferred name) |
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 | | C1A | | Name: | (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate) | | Formula: | C14 H22 N8 S2 | | SMILES: | S(C(=[N@H])NC(=[N@H])N)Cc1cc(c(cc1C)CSC(=[N@H])NC(=[N@H])N)C | | InChi: | InChI=1S/C14H22N8S2/c1-7-3-10(6-24-14(20)22-12(17)18)8(2)4-9(7)5-23-13(19)21-11(15)16/h3-4H,5-6H2,1-2H3,(H5,15,16,19,21)(H5,17,18,20,22) | | Synonyms: | 4-({[(E)-{[(E)-AMINO(IMINO)METHYL]AMINO}(IMINO)METHYL]SULFANYL}METHYL)-2,5-DIMETHYLBENZYL
N-[(E)-AMINO(IMINO)METHYL]IMIDOTHIOCARBAMATE | | Definition date: | 2005-08-31 | | Last modified: | 2020-06-17 | | Identifier: | (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate) |
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 | | P33 | | Name: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL | | Formula: | C14 H30 O8 | | SMILES: | O(CCOCCO)CCOCCOCCOCCOCCO | | InChi: | InChI=1S/C14H30O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h15-16H,1-14H2 | | Synonyms: | HEPTAETHYLENE GLYCOL | | Definition date: | 2003-04-09 | | Last modified: | 2020-05-27 | | Identifier: | 3,6,9,12,15,18-hexaoxaicosane-1,20-diol |
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 | | SCM | | Name: | SPECTINOMYCIN | | Formula: | C14 H24 N2 O7 | | SMILES: | O=C1C2(OC3C(NC)C(O)C(NC)C(O)C3OC2OC(C1)C)O | | InChi: | InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1 | | Synonyms: | ACTINOSPECTACIN | | Definition date: | 2000-08-25 | | Last modified: | 2020-05-27 | | Identifier: | (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one |
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 | | B5C | | Name: | 2-oxo-2H-1,3-benzoxathiol-5-yl acetate | | Formula: | C9 H6 O4 S | | SMILES: | C2(Sc1cc(OC(C)=O)ccc1O2)=O | | InChi: | InChI=1S/C9H6O4S/c1-5(10)12-6-2-3-7-8(4-6)14-9(11)13-7/h2-4H,1H3 | | Definition date: | 2019-01-15 | | Last modified: | 2019-12-20 | | Release date: | 2019-12-25 | | Identifier: | 2-oxo-2H-1,3-benzoxathiol-5-yl acetate |
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 | | EZ8 | | Name: | [1-[(2~{S},3~{S},4~{R},5~{S},6~{R})-2-[(1~{S},2~{S},4~{S},5~{S})-2-(2-chloroethyloxy)-4,5-bis[[4-(hydroxymethyl)phenyl]methylcarbamoyl]cyclohexyl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methylazanium | | Formula: | C35 H48 Cl N6 O10 | | SMILES: | [NH3+]Cc1cn(nn1)[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2O[CH]3C[CH]([CH](C[CH]3OCCCl)C(=O)NCc4ccc(CO)cc4)C(=O)NCc5ccc(CO)cc5 | | InChi: | InChI=1S/C35H47ClN6O10/c36-9-10-50-27-11-25(33(48)38-14-20-1-5-22(17-43)6-2-20)26(34(49)39-15-21-3-7-23(18-44)8-4-21)12-28(27)51-35-30(42-16-24(13-37)40-41-42)32(47)31(46)29(19-45)52-35/h1-8,16,25-32,35,43-47H,9-15,17-19,37H2,(H,38,48)(H,39,49)/p+1/t25-,26-,27-,28-,29+,30-,31+,32+,35-/m0/s1 | | Definition date: | 2018-05-10 | | Last modified: | 2019-09-06 | | Release date: | 2019-09-11 | | Identifier: | [1-[(2~{S},3~{S},4~{R},5~{S},6~{R})-2-[(1~{S},2~{S},4~{S},5~{S})-2-(2-chloroethyloxy)-4,5-bis[[4-(hydroxymethyl)phenyl]methylcarbamoyl]cyclohexyl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methylazanium |
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