| W2F | Name: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-chloranyl-benzamide | Formula: | C12 H12 Cl N3 O3 | SMILES: | Nc1ccc(c(Cl)c1)C(=O)N[CH]2CCC(=O)NC2=O | InChi: | InChI=1S/C12H12ClN3O3/c13-8-5-6(14)1-2-7(8)11(18)15-9-3-4-10(17)16-12(9)19/h1-2,5,9H,3-4,14H2,(H,15,18)(H,16,17,19)/t9-/m0/s1 | Definition date: | 2023-04-25 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-chloranyl-benzamide |
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| XHF | Name: | 2,6-dibromo-4-[(E)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethenyl]phenol | Formula: | C13 H12 Br2 N2 O | SMILES: | Cc1n[NH]c(C)c1/C=C/c1cc(Br)c(O)c(Br)c1 | InChi: | InChI=1S/C13H12Br2N2O/c1-7-10(8(2)17-16-7)4-3-9-5-11(14)13(18)12(15)6-9/h3-6,18H,1-2H3,(H,16,17)/b4-3+ | Definition date: | 2022-11-17 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | 2,6-dibromo-4-[(E)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethenyl]phenol |
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| XID | Name: | (1S,2R,3R,4S,5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)] | Formula: | C6 H16 O18 P4 | SMILES: | OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O | InChi: | InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3+,4+,5-,6-/m1/s1 | Definition date: | 2023-11-02 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | (1S,2R,3R,4S,5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)] |
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| XZW | Name: | [(1~{R})-3-(3,4-dimethoxyphenyl)-1-[4-[[1-[3-[2-[[[(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]methyl]-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]propyl]-1,2,3-triazol-4-yl]methoxy]phenyl]propyl] (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate | Formula: | C72 H91 F N8 O14 S | SMILES: | COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH](C3CCCCC3)c4cc(OC)c(OC)c(OC)c4)c5ccc(OCc6cn(CCCOc7cc(ccc7CNC(=O)[CH]8C[CH](O)CN8C(=O)[CH](NC(=O)C9(F)CC9)C(C)(C)C)c%10scnc%10C)nn6)cc5)cc1OC | InChi: | InChI=1S/C72H91FN8O14S/c1-44-64(96-43-75-44)48-21-22-49(39-74-66(83)55-38-52(82)41-81(55)68(85)65(71(2,3)4)76-70(87)72(73)29-30-72)58(35-48)93-33-15-31-79-40-51(77-78-79)42-94-53-25-23-46(24-26-53)56(27-19-45-20-28-57(88-5)59(34-45)89-6)95-69(86)54-18-13-14-32-80(54)67(84)62(47-16-11-10-12-17-47)50-36-60(90-7)63(92-9)61(37-50)91-8/h20-26,28,34-37,40,43,47,52,54-56,62,65,82H,10-19,27,29-33,38-39,41-42H2,1-9H3,(H,74,83)(H,76,87)/t52-,54+,55+,56-,62+,65-/m1/s1 | Definition date: | 2023-06-09 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | [(1~{R})-3-(3,4-dimethoxyphenyl)-1-[4-[[1-[3-[2-[[[(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]methyl]-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]propyl]-1,2,3-triazol-4-yl]methoxy]phenyl]propyl] (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate |
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| X3I | Name: | (5R)-5-{(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-[(prop-2-yn-1-yl)oxy]hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-1-fluorohexan-2-one (non-preferred name) | Formula: | C28 H43 F O2 | SMILES: | FCC(=O)CCC(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OCC#C | InChi: | InChI=1S/C28H43FO2/c1-5-16-31-22-12-14-27(3)20(17-22)7-9-23-25-11-10-24(19(2)6-8-21(30)18-29)28(25,4)15-13-26(23)27/h1,19-20,22-26H,6-18H2,2-4H3/t19-,20-,22-,23+,24-,25+,26+,27+,28-/m1/s1 | Definition date: | 2022-10-26 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | (5R)-5-{(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-[(prop-2-yn-1-yl)oxy]hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-1-fluorohexan-2-one (non-preferred name) |
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| UHC | Name: | ~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneoctanethioate | Formula: | C19 H35 N2 O9 P S | SMILES: | CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O | InChi: | InChI=1S/C19H35N2O9PS/c1-4-5-6-7-14(22)12-16(24)32-11-10-20-15(23)8-9-21-18(26)17(25)19(2,3)13-30-31(27,28)29/h17,25H,4-13H2,1-3H3,(H,20,23)(H,21,26)(H2,27,28,29)/t17-/m1/s1 | Definition date: | 2023-06-02 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | ~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneoctanethioate |
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| ZNQ | Name: | (1R,2S,3S,4R,5S,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)] | Formula: | C6 H16 O18 P4 | SMILES: | OP(=O)(O)OC1C(OP(=O)(O)O)C(O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O | InChi: | InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3+,4+,5-,6-/m0/s1 | Synonyms: | scyllo-L-(1,2,3,4)-IP4 | Definition date: | 2023-06-29 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | (1R,2S,3S,4R,5S,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)] |
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| ZNU | Name: | (1S,2R,3S,4S,5S,6S)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)] | Formula: | C6 H17 O21 P5 | SMILES: | OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O | InChi: | InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3-,4+,5-,6-/m0/s1 | Synonyms: | myo-(1OH)IP5 | Definition date: | 2023-06-29 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | (1S,2R,3S,4S,5S,6S)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)] |
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| ZNZ | Name: | (1R,2R,3R,4S,5R,6R)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)] | Formula: | C6 H17 O21 P5 | SMILES: | OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O | InChi: | InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3-,4+,5-,6-/m1/s1 | Synonyms: | myo-(3OH)IP5 | Definition date: | 2023-06-29 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | (1R,2R,3R,4S,5R,6R)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)] |
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| ZOW | Name: | (1R,2S,3S,4R,5S,6S)-2,3-dihydroxy-5,6-bis(phosphonooxy)cyclohexane-1,4-diyl bis[trihydrogen (diphosphate)] | Formula: | C6 H18 O24 P6 | SMILES: | OP(=O)(O)OC1C(OP(=O)(O)OP(=O)(O)O)C(O)C(O)C(OP(=O)(O)OP(=O)(O)O)C1OP(=O)(O)O | InChi: | InChI=1S/C6H18O24P6/c7-1-2(8)4(28-36(23,24)30-34(18,19)20)6(26-32(12,13)14)5(25-31(9,10)11)3(1)27-35(21,22)29-33(15,16)17/h1-8H,(H,21,22)(H,23,24)(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3+,4+,5-,6-/m0/s1 | Definition date: | 2023-06-29 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | (1R,2S,3S,4R,5S,6S)-2,3-dihydroxy-5,6-bis(phosphonooxy)cyclohexane-1,4-diyl bis[trihydrogen (diphosphate)] |
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| VRK | Name: | (1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol | Formula: | C20 H27 N O3 | SMILES: | NC[CH]1O[CH](Cc2c(O)c(O)ccc12)C34CC5CC(CC(C5)C3)C4 | InChi: | InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11-,12+,13-,17-,18-,20-/m1/s1 | Definition date: | 2023-08-09 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | (1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol |
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| UJF | Name: | 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol | Formula: | C14 H14 I N O2 | SMILES: | NCCc1ccc(Oc2ccc(O)cc2)c(I)c1 | InChi: | InChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2 | Definition date: | 2023-06-07 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol |
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| UJU | Name: | 5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide | Formula: | C17 H22 N4 O2 | SMILES: | CCc1[nH]nc(C(=O)Nc2ccc(cc2)[CH]3CNCCO3)c1C | InChi: | InChI=1S/C17H22N4O2/c1-3-14-11(2)16(21-20-14)17(22)19-13-6-4-12(5-7-13)15-10-18-8-9-23-15/h4-7,15,18H,3,8-10H2,1-2H3,(H,19,22)(H,20,21)/t15-/m1/s1 | Synonyms: | Ralmitaront | Definition date: | 2023-06-07 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | 5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide |
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| Y5Q | Name: | (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[4-[(1~{S})-1-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | Formula: | C48 H61 Cl2 N9 O9 S2 | SMILES: | C[CH](N1C[CH](C=C)[CH]2CCC[CH](N2[S](=O)(=O)c3cc(Cl)cc(Cl)c3)C1=O)c4cn(CCOCCOCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)NCc6ccc(cc6)c7scnc7C)C(C)(C)C)nn4 | InChi: | InChI=1S/C48H61Cl2N9O9S2/c1-7-32-24-57(46(63)40-10-8-9-39(32)59(40)70(65,66)37-20-34(49)19-35(50)21-37)30(3)38-26-56(55-54-38)15-16-67-17-18-68-27-42(61)53-44(48(4,5)6)47(64)58-25-36(60)22-41(58)45(62)51-23-31-11-13-33(14-12-31)43-29(2)52-28-69-43/h7,11-14,19-21,26,28,30,32,36,39-41,44,60H,1,8-10,15-18,22-25,27H2,2-6H3,(H,51,62)(H,53,61)/t30-,32-,36+,39+,40-,41-,44+/m0/s1 | Definition date: | 2023-06-12 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[4-[(1~{S})-1-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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| V2X | Name: | (1~{S},2~{S})-~{N}'-ethanoyl-2-(3-methylphenyl)cyclopropane-1-carbohydrazide | Formula: | C13 H16 N2 O2 | SMILES: | CC(=O)NNC(=O)[CH]1C[CH]1c2cccc(C)c2 | InChi: | InChI=1S/C13H16N2O2/c1-8-4-3-5-10(6-8)11-7-12(11)13(17)15-14-9(2)16/h3-6,11-12H,7H2,1-2H3,(H,14,16)(H,15,17)/t11-,12+/m1/s1 | Definition date: | 2023-02-21 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | (1~{S},2~{S})-~{N}'-ethanoyl-2-(3-methylphenyl)cyclopropane-1-carbohydrazide |
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| QQS | Name: | 2-cyclohexyl-6-methoxy-~{N}-methyl-~{N}-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine | Formula: | C31 H49 N5 O2 | SMILES: | COc1cc2c(cc1OCCCN3CCCC3)nc(nc2N(C)C4CCN(CC4)C(C)C)C5CCCCC5 | InChi: | InChI=1S/C31H49N5O2/c1-23(2)36-18-13-25(14-19-36)34(3)31-26-21-28(37-4)29(38-20-10-17-35-15-8-9-16-35)22-27(26)32-30(33-31)24-11-6-5-7-12-24/h21-25H,5-20H2,1-4H3 | Definition date: | 2022-11-11 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | 2-cyclohexyl-6-methoxy-~{N}-methyl-~{N}-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine |
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| QXO | Name: | 2-(6-fluoranylindol-1-yl)ethanoic acid | Formula: | C10 H8 F N O2 | SMILES: | OC(=O)Cn1ccc2ccc(F)cc12 | InChi: | InChI=1S/C10H8FNO2/c11-8-2-1-7-3-4-12(6-10(13)14)9(7)5-8/h1-5H,6H2,(H,13,14) | Synonyms: | 2-(6-fluoro-1H-indol-1-yl)acetic acid | Definition date: | 2022-11-16 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | 2-(6-fluoranylindol-1-yl)ethanoic acid |
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| QMU | Name: | Bretazenil | Formula: | C19 H20 Br N3 O3 | SMILES: | CC(C)(C)OC(=O)c1ncn2c3cccc(Br)c3C(=O)N4CCC[CH]4c12 | InChi: | InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1 | Synonyms: | ~{tert}-butyl (7~{S})-14-bromanyl-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate | Definition date: | 2022-11-09 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | ~{tert}-butyl (7~{S})-14-bromanyl-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate |
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| KZU | Name: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide | Formula: | C24 H27 N7 O3 S2 | SMILES: | COCCn1cc(COc2cccc(Cc3sc(NC(=O)CSc4nc(C)cc(C)n4)nc3)c2)nn1 | InChi: | InChI=1S/C24H27N7O3S2/c1-16-9-17(2)27-24(26-16)35-15-22(32)28-23-25-12-21(36-23)11-18-5-4-6-20(10-18)34-14-19-13-31(30-29-19)7-8-33-3/h4-6,9-10,12-13H,7-8,11,14-15H2,1-3H3,(H,25,28,32) | Synonyms: | triazole-based sirtuin-rearranging ligand (SirReal) | Definition date: | 2022-06-08 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-~{N}-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide |
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| LE6 | Name: | (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol | Formula: | C21 H25 Cl O6 | SMILES: | CCOc1ccc(Cc2cc(ccc2Cl)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc1 | InChi: | InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1 | Synonyms: | Dapagliflozin | Definition date: | 2022-11-18 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | (2~{S},3~{R},4~{R},5~{S},6~{R})-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol |
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| LFL | Name: | (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyl-oxane-3,4,5-triol | Formula: | C21 H25 Cl O5 S | SMILES: | CCOc1ccc(Cc2cc(ccc2Cl)[CH]3O[CH](SC)[CH](O)[CH](O)[CH]3O)cc1 | InChi: | InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1 | Synonyms: | Sotagliflozin | Definition date: | 2022-11-18 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | (2~{S},3~{R},4~{R},5~{S},6~{R})-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyl-oxane-3,4,5-triol |
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| 67I | Name: | (2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid | Formula: | C11 H10 Br2 N2 O2 | SMILES: | N[CH](Cc1c[nH]c2c(Br)cc(Br)cc12)C(O)=O | InChi: | InChI=1S/C11H10Br2N2O2/c12-6-2-7-5(1-9(14)11(16)17)4-15-10(7)8(13)3-6/h2-4,9,15H,1,14H2,(H,16,17)/t9-/m0/s1 | Definition date: | 2023-01-12 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | (2~{S})-2-azanyl-3-[5,7-bis(bromanyl)-1~{H}-indol-3-yl]propanoic acid |
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| EIA | Name: | (1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(2),3,13,18-tetraene-20,27,28-trione | Formula: | C29 H38 N2 O4 | SMILES: | CC[CH]1[CH](C)C[CH]2[CH]3C[CH]4C=CC(=C5C(=O)N[CH](CCCNC(=O)C=CC[CH]4[CH]3C=C[CH]12)C5=O)O | InChi: | InChI=1S/C29H38N2O4/c1-3-18-16(2)14-22-20(18)10-11-21-19-6-4-8-26(33)30-13-5-7-24-28(34)27(29(35)31-24)25(32)12-9-17(19)15-23(21)22/h4,8-12,16-24,32H,3,5-7,13-15H2,1-2H3,(H,30,33)(H,31,35)/b8-4-,12-9+,27-25-/t16-,17-,18-,19+,20+,21-,22+,23+,24+/m1/s1 | Synonyms: | ikarugamycin | Definition date: | 2023-06-14 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 |
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| EIU | Name: | (1Z,3E,5E,7S,8R,10S,11R,13R,15R,16E,18E,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.09,13.08,15]octacosa-1(2),3,5,16,18-pentaene-20,27,28-trione | Formula: | C29 H40 N2 O5 | SMILES: | CC[CH]1C[CH]2C[CH]3CC=CCC(=O)NCCC[CH]4NC(=O)C(=C(O)C=CC=C[CH](O)[CH]3[CH]2[CH]1C)C4=O | InChi: | InChI=1S/C29H40N2O5/c1-3-18-15-20-16-19-9-4-7-13-24(34)30-14-8-10-21-28(35)27(29(36)31-21)23(33)12-6-5-11-22(32)26(19)25(20)17(18)2/h4-7,11-12,17-22,25-26,32-33H,3,8-10,13-16H2,1-2H3,(H,30,34)(H,31,36)/b7-4+,11-5+,12-6+,27-23-/t17-,18+,19-,20+,21-,22-,25+,26-/m0/s1 | Definition date: | 2023-06-15 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 |
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| F7Z | Name: | (1Z,3E,5S,7R,8R,10R,11R,12S,13R,15S,16R,17S,19Z,26S)-11-ethyl-2-hydroxy-10-methyl-22,27-diaza-14 oxahexacyclo[24.2.1.05,17.07,16.013,15.08,12]nonacosa-1(2),3,19-triene-21,28,29-trione | Formula: | C29 H38 N2 O5 | SMILES: | CC[CH]1[CH](C)C[CH]2[CH]3C[CH]4C=CC(=C5C(=O)N[CH](CCCNC(=O)C=CC[CH]4[CH]3[CH]6O[CH]6[CH]12)C5=O)O | InChi: | InChI=1S/C29H38N2O5/c1-3-16-14(2)12-18-19-13-15-9-10-21(32)25-26(34)20(31-29(25)35)7-5-11-30-22(33)8-4-6-17(15)24(19)28-27(36-28)23(16)18/h4,8-10,14-20,23-24,27-28,32H,3,5-7,11-13H2,1-2H3,(H,30,33)(H,31,35)/b8-4-,10-9+,25-21-/t14-,15-,16-,17+,18-,19-,20+,23+,24-,27-,28+/m1/s1 | Synonyms: | epoxyikarugamycin | Definition date: | 2023-06-29 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 |
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