 | | 37U | | Name: | D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide | | Formula: | C21 H24 F N3 O2 | | SMILES: | O=C(NCc1cccc(F)c1)C3N(C(=O)C(N)Cc2ccccc2)CCC3 | | InChi: | InChI=1S/C21H24FN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h1-4,6-9,12,18-19H,5,10-11,13-14,23H2,(H,24,26)/t18-,19+/m1/s1 | | Synonyms: | (2S)-1-((2R)-2-amino-3-phenyl-propanoyl)-N-((3-fluorophenyl)methyl)pyrrolidine-2-carboxamide | | Definition date: | 2007-11-30 | | Last modified: | 2021-03-01 | | Identifier: | D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide |
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 | | 383 | | Name: | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (2,4,5,8-TETRAHYDROXY-7-OXA-2-AZA-BICYCLO[3.2.1]OCT-3-YL)- ACETIC ACID | | Formula: | C17 H23 N3 O9 | | SMILES: | O=C(O)C(NC(=O)C(N)Cc1ccc(O)cc1)C3N(O)C2OCC(O)(C2O)C3O | | InChi: | InChI=1S/C17H23N3O9/c18-9(5-7-1-3-8(21)4-2-7)14(24)19-10(16(25)26)11-12(22)17(27)6-29-15(13(17)23)20(11)28/h1-4,9-13,15,21-23,27-28H,5-6,18H2,(H,19,24)(H,25,26)/t9-,10-,11-,12-,13-,15-,17+/m0/s1 | | Synonyms: | SB-219383 | | Definition date: | 2001-07-05 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-[(1S,3S,4S,5R,8R)-2,4,5,8-tetrahydroxy-7-oxa-2-azabicyclo[3.2.1]oct-3-yl](L-tyrosylamino)ethanoic acid |
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 | | HDC | | Name: | 3R-HYDROXYDECANOYL-COENZYME A | | Formula: | C31 H54 N7 O18 P3 S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CC(O)CCCCCCC | | InChi: | InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20-,24-,25-,26+,30-/m1/s1 | | Synonyms: | 3R-HYDROXYDECANOYL-COA | | Definition date: | 2003-06-17 | | Last modified: | 2021-03-01 | | Identifier: | S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (3R)-3-hydroxydecanethioate (non-preferred name) |
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 | | 39W | | Name: | (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide | | Formula: | C37 H45 F N6 O7 S2 | | SMILES: | O=S(=O)(NC(=O)C12NC(=O)N6C(C(=O)N(C)CCCCC=CC2C1)CC(Oc4cc(nc3c(F)c(OC)ccc34)c5nc(cs5)C(C)C)C6)C7(C)CC7 | | InChi: | InChI=1S/C37H45FN6O7S2/c1-21(2)26-20-52-32(40-26)25-17-29(24-11-12-28(50-5)30(38)31(24)39-25)51-23-16-27-33(45)43(4)15-9-7-6-8-10-22-18-37(22,41-35(47)44(27)19-23)34(46)42-53(48,49)36(3)13-14-36/h8,10-12,17,20-23,27H,6-7,9,13-16,18-19H2,1-5H3,(H,41,47)(H,42,46)/b10-8-/t22-,23+,27+,37-/m1/s1 | | Synonyms: | IDX320 | | Definition date: | 2014-07-14 | | Last modified: | 2021-03-01 | | Release date: | 2015-07-29 | | Identifier: | (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide |
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 | | HGG | | Name: | (3R,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide | | Formula: | C26 H42 N7 O20 P3 S | | SMILES: | O=C(O)CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C26H42N7O20P3S/c1-26(2,21(40)24(41)29-4-3-15(35)28-5-6-57-17(38)8-13(34)7-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-20(52-54(42,43)44)19(39)25(51-14)33-12-32-18-22(27)30-11-31-23(18)33/h11-14,19-21,25,34,39-40H,3-10H2,1-2H3,(H,28,35)(H,29,41)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13-,14+,19+,20+,21-,25+/m0/s1 | | Synonyms: | 3-Hydroxyl Glutaryl CoA | | Definition date: | 2010-04-29 | | Last modified: | 2021-03-01 | | Identifier: | (3R,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name) |
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 | | HH0 | | Name: | methyl N-[(2S)-2-({(S)-hydroxy[(1R)-3-methyl-1-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-L-alanyl-L-alaninate | | Formula: | C36 H60 N5 O10 P | | SMILES: | O=C(OC)C(NC(=O)C(NC(=O)C(OP(=O)(O)C(NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)CC(C)C)Cc1ccccc1)C)C | | InChi: | InChI=1S/C36H60N5O10P/c1-20(2)17-28(42)39-30(22(5)6)35(46)41-31(23(7)8)34(45)40-29(18-21(3)4)52(48,49)51-27(19-26-15-13-12-14-16-26)33(44)37-24(9)32(43)38-25(10)36(47)50-11/h12-16,20-25,27,29-31H,17-19H2,1-11H3,(H,37,44)(H,38,43)(H,39,42)(H,40,45)(H,41,46)(H,48,49)/t24-,25-,27-,29+,30-,31-/m0/s1 | | Synonyms: | IVA-VAL-VAL-LEU(P)-(O)PHE-ALA-ALA-OME | | Definition date: | 2010-11-02 | | Last modified: | 2021-03-01 | | Identifier: | methyl N-[(2S)-2-({(S)-hydroxy[(1R)-3-methyl-1-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-L-alanyl-L-alaninate |
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 | | HJ1 | | Name: | N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide | | Formula: | C11 H16 N2 O3 | | SMILES: | C(N)CC(NCCc1cc(c(cc1)O)O)=O | | InChi: | InChI=1S/C11H16N2O3/c12-5-3-11(16)13-6-4-8-1-2-9(14)10(15)7-8/h1-2,7,14-15H,3-6,12H2,(H,13,16) | | Synonyms: | beta-alanyl-dopamine | | Definition date: | 2018-07-03 | | Last modified: | 2021-03-01 | | Release date: | 2019-01-30 | | Identifier: | N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide |
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 | | 2NV | | Name: | 3,6,9,12,15-pentaoxaoctadecan-17-amine | | Formula: | C13 H29 N O5 | | SMILES: | NC(C)COCCOCCOCCOCCOCC | | InChi: | InChI=1S/C13H29NO5/c1-3-15-4-5-16-6-7-17-8-9-18-10-11-19-12-13(2)14/h13H,3-12,14H2,1-2H3/t13-/m1/s1 | | Synonyms: | Jeffamine ED-2001 | | Definition date: | 2014-04-21 | | Last modified: | 2021-03-01 | | Release date: | 2014-04-30 | | Identifier: | (17R)-3,6,9,12,15-pentaoxaoctadecan-17-amine |
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 | | HLW | | Name: | 3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine | | Formula: | C18 H20 Cl N5 | | SMILES: | Clc1cccc(c1)CCCNCCc2nc(ncc2)n3ccnc3 | | InChi: | InChI=1S/C18H20ClN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2 | | Synonyms: | N-2-(2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL)ETHYL-3-(3-CHLOROPHENYL)PROPAN-1-AMINE | | Definition date: | 2014-10-21 | | Last modified: | 2021-03-01 | | Release date: | 2014-12-24 | | Identifier: | 3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine |
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 | | 2TN | | Name: | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | | Formula: | C14 H22 N2 O3 | | SMILES: | O=C(N)Cc1ccc(OCC(O)CNC(C)C)cc1 | | InChi: | InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m1/s1 | | Synonyms: | ATENOLOL | | Definition date: | 2006-11-16 | | Last modified: | 2021-03-01 | | Identifier: | 2-[4-({(2R)-2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]acetamide |
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 | | HS3 | | Name: | (2R)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-oxo-propanamide | | Formula: | C10 H12 N2 O6 S | | SMILES: | O=NC(=O)C(NS(=O)(=O)c1ccc(OC)cc1)CO | | InChi: | InChI=1S/C10H12N2O6S/c1-18-7-2-4-8(5-3-7)19(16,17)12-9(6-13)10(14)11-15/h2-5,9,12-13H,6H2,1H3/t9-/m1/s1 | | Synonyms: | (R)-N-(3-hydroxy-1-nitroso-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide | | Definition date: | 2008-11-04 | | Last modified: | 2021-03-01 | | Identifier: | N~2~-[(4-methoxyphenyl)sulfonyl]-N-oxo-D-serinamide |
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 | | HYF | | Name: | 4-HYDROXY-5-ISOBUTYRYL-6-METHYL-1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-3-ENE-2,9-DIONE | | Formula: | C35 H52 O4 | | SMILES: | O=C1C2(C(O)=C(C(=O)C1(CC(CC=C(/C)C)C2(C)CCC=C(/C)C)CC=C(/C)C)CC=C(/C)C)C(=O)C(C)C | | InChi: | InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,38H,12,16-17,19-21H2,1-11H3/t27-,33-,34-,35+/m1/s1 | | Synonyms: | HYPERFORIN | | Definition date: | 2002-06-25 | | Last modified: | 2021-03-01 | | Identifier: | (1R,5S,6R,7R)-4-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione |
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 | | I41 | | Name: | 2-[[2-[[(2S)-3-(3H-IMIDAZOL-4-YL)-1-METHOXY-1-OXO-PROPAN-2-YL]AMINO]-2-OXO-ETHYL]-(PHENYLMETHYL)AMINO]ETHANOIC ACID | | Formula: | C18 H22 N4 O5 | | SMILES: | COC(=O)[CH](Cc1[nH]cnc1)NC(=O)CN(CC(O)=O)Cc2ccccc2 | | InChi: | InChI=1S/C18H22N4O5/c1-27-18(26)15(7-14-8-19-12-20-14)21-16(23)10-22(11-17(24)25)9-13-5-3-2-4-6-13/h2-6,8,12,15H,7,9-11H2,1H3,(H,19,20)(H,21,23)(H,24,25)/t15-/m0/s1 | | Synonyms: | COMPOUND 41367 | | Definition date: | 2011-02-28 | | Last modified: | 2021-03-01 | | Identifier: | 2-[[2-[[(2S)-3-(3H-imidazol-4-yl)-1-methoxy-1-oxo-propan-2-yl]amino]-2-oxo-ethyl]-(phenylmethyl)amino]ethanoic acid |
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 | | IBI | | Name: | N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide | | Formula: | C34 H50 N8 O3 | | SMILES: | O=C6N(c1c(nc(nc1)Nc2ccc(cc2OC)C(=O)NC5CCC(N3CCN(CC3)CC4CC4)CC5)N(C(C)C)C6CC)C | | InChi: | InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1 | | Synonyms: | Volasertib | | Definition date: | 2008-11-25 | | Last modified: | 2021-03-01 | | Identifier: | N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide |
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 | | IFS | | Name: | bis(1-methylethyl) [2-(sulfanylmethyl)phenyl]phosphonate | | Formula: | C13 H21 O3 P S | | SMILES: | O=P(OC(C)C)(OC(C)C)c1ccccc1CS | | InChi: | InChI=1S/C13H21O3PS/c1-10(2)15-17(14,16-11(3)4)13-8-6-5-7-12(13)9-18/h5-8,10-11,18H,9H2,1-4H3 | | Synonyms: | Diisopropyl 2-(sulfanylmethyl)phenylphosphonate | | Definition date: | 2009-08-18 | | Last modified: | 2021-03-01 | | Identifier: | dipropan-2-yl [2-(sulfanylmethyl)phenyl]phosphonate |
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 | | IGN | | Name: | {[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID | | Formula: | C21 H38 N6 O4 | | SMILES: | O=C(N1C(C(=O)NCCCNC(=[N@H])N)CCCC1)C(NCC(=O)O)CC2CCCCC2 | | InChi: | InChI=1S/C21H38N6O4/c22-21(23)25-11-6-10-24-19(30)17-9-4-5-12-27(17)20(31)16(26-14-18(28)29)13-15-7-2-1-3-8-15/h15-17,26H,1-14H2,(H,24,30)(H,28,29)(H4,22,23,25)/t16-,17+/m1/s1 | | Synonyms: | INOGATRAN (ASTRA-ZENECA) | | Definition date: | 2001-10-23 | | Last modified: | 2021-03-01 | | Identifier: | N-[(1R)-2-{(2S)-2-[(3-carbamimidamidopropyl)carbamoyl]piperidin-1-yl}-1-(cyclohexylmethyl)-2-oxoethyl]glycine |
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 | | IIB | | Name: | 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-3-CYANO-N-(1-ISOPROPYLPIPERIDIN-4-YL)-7-METHYL-1H-INDOLE-2-CARBOXAMIDE | | Formula: | C27 H28 Cl N5 O2 S | | SMILES: | Clc5sc(c1onc(c1)Cn4c2c(cccc2c(C#N)c4C(=O)NC3CCN(C(C)C)CC3)C)cc5 | | InChi: | InChI=1S/C27H28ClN5O2S/c1-16(2)32-11-9-18(10-12-32)30-27(34)26-21(14-29)20-6-4-5-17(3)25(20)33(26)15-19-13-22(35-31-19)23-7-8-24(28)36-23/h4-8,13,16,18H,9-12,15H2,1-3H3,(H,30,34) | | Synonyms: | 1-[5-(5-CHLORO-THIOPHEN-2-YL)-ISOXAZOL-3-YLMETHYL]-3-CYANO-7-METHYL-1H-INDOLE-2-CARBOXYLIC ACID (1-ISOPROPYL-PIPERIDIN-4-YL)-AMIDE | | Definition date: | 2005-04-27 | | Last modified: | 2021-03-01 | | Identifier: | 1-{[5-(5-chlorothiophen-2-yl)isoxazol-3-yl]methyl}-3-cyano-7-methyl-N-[1-(1-methylethyl)piperidin-4-yl]-1H-indole-2-carboxamide |
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 | | IID | | Name: | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1-(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | | Formula: | C25 H31 N3 O2 | | SMILES: | O=C(NC1CCN(C(C)C)CC1)c3cc2ccccc2n3Cc4cccc(OC)c4 | | InChi: | InChI=1S/C25H31N3O2/c1-18(2)27-13-11-21(12-14-27)26-25(29)24-16-20-8-4-5-10-23(20)28(24)17-19-7-6-9-22(15-19)30-3/h4-10,15-16,18,21H,11-14,17H2,1-3H3,(H,26,29) | | Synonyms: | 1-(3-METHOXY-BENZYL)-1H-INDOLE-2-CARBOXYLIC ACID (1-ISOPROPYL-PIPERIDIN- 4-YL)-AMIDE | | Definition date: | 2005-04-27 | | Last modified: | 2021-03-01 | | Identifier: | 1-(3-methoxybenzyl)-N-[1-(1-methylethyl)piperidin-4-yl]-1H-indole-2-carboxamide |
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 | | ILV | | Name: | (2S,5S)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one | | Formula: | C17 H23 N3 O2 | | SMILES: | CC(C1N(c3c2c(CC(NC1=O)CO)cnc2ccc3)C)C | | InChi: | InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1 | | Synonyms: | Indolactam V | | Definition date: | 2015-03-19 | | Last modified: | 2021-03-01 | | Release date: | 2016-03-16 | | Identifier: | (2S,5S)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one |
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 | | IN9 | | Name: | 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE | | Formula: | C13 H10 F5 N5 O2 S2 | | SMILES: | O=C(Nc1nnc(S)s1)NC(C(=O)NC)Cc2c(F)c(F)c(F)c(F)c2F | | InChi: | InChI=1S/C13H10F5N5O2S2/c1-19-10(24)4(20-11(25)21-12-22-23-13(26)27-12)2-3-5(14)7(16)9(18)8(17)6(3)15/h4H,2H2,1H3,(H,19,24)(H,23,26)(H2,20,21,22,25)/t4-/m0/s1 | | Synonyms: | PNU-142372 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 2,3,4,5,6-pentafluoro-N-methyl-Nalpha-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]-L-phenylalaninamide |
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 | | IPA | | Name: | ISOPROPYL ALCOHOL | | Formula: | C3 H8 O | | SMILES: | OC(C)C | | InChi: | InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3 | | Synonyms: | 2-PROPANOL | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | propan-2-ol |
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 | | IPY | | Name: | IMIDAZOLE-PYRROLE POLYAMIDE | | Formula: | C31 H42 N11 O5 | | SMILES: | O=C(Nc3cc(C(=O)Nc2cc(C(=O)Nc1cc(C(=O)NCCC(=O)NCCC[NH+](C)C)n(c1)C)n(c2)C)n(c3)C)c4nccn4C | | InChi: | InChI=1S/C31H41N11O5/c1-38(2)12-7-9-32-26(43)8-10-34-28(44)23-14-20(17-40(23)4)35-29(45)24-15-21(18-41(24)5)36-30(46)25-16-22(19-42(25)6)37-31(47)27-33-11-13-39(27)3/h11,13-19H,7-10,12H2,1-6H3,(H,32,43)(H,34,44)(H,35,45)(H,36,46)(H,37,47)/p+1 | | Synonyms: | IMIDAZOLE-PYRROLE-PYRROLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | N,N-dimethyl-3-({N-[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]-beta-alanyl}amino)propan-1-aminium |
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 | | IPZ | | Name: | 2-ISOPROPYL-3-METHOXYPYRAZINE | | Formula: | C8 H12 N2 O | | SMILES: | O(c1nccnc1C(C)C)C | | InChi: | InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3 | | Synonyms: | 2-METHOXY-3-ISOPROPYLPYRAZINE | | Definition date: | 2003-09-16 | | Last modified: | 2021-03-01 | | Identifier: | 2-methoxy-3-(1-methylethyl)pyrazine |
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 | | 3VV | | Name: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name) | | Formula: | C39 H68 N7 O17 P3 S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCC=C/CCCCCCCC | | InChi: | InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32-,33-,34+,38-/m1/s1 | | Synonyms: | oleoyl-CoA | | Definition date: | 2014-11-19 | | Last modified: | 2021-03-01 | | Release date: | 2015-02-18 | | Identifier: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name) |
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 | | IWD | | Name: | 2-AMINO-3-(5-IODO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID | | Formula: | C7 H8 I N3 O4 | | SMILES: | O=C(O)C(N)CN1C=C(I)C(=O)NC1=O | | InChi: | InChI=1S/C7H8IN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1 | | Synonyms: | IODO-WILLARDIINE | | Definition date: | 2002-09-18 | | Last modified: | 2021-03-01 | | Identifier: | 3-(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine |
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