 | | 381 | | Name: | (S)-(3-aminopropyl)(cyclohexylmethyl)phosphinic acid | | Formula: | C10 H22 N O2 P | | SMILES: | O=P(O)(CC1CCCCC1)CCCN | | InChi: | InChI=1S/C10H22NO2P/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h10H,1-9,11H2,(H,12,13) | | Synonyms: | CGP 46381 | | Definition date: | 2013-09-19 | | Last modified: | 2021-03-01 | | Release date: | 2013-12-11 | | Identifier: | (S)-(3-aminopropyl)(cyclohexylmethyl)phosphinic acid |
|
 | | 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 |
|
 | | MBC | | Name: | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE | | Formula: | C19 H16 N6 O | | SMILES: | n2c1c(ccc(C(=[N@H])N)c1)nc2c3oc(cc3)c4ccc(C(=[N@H])N)cc4 | | InChi: | InChI=1S/C19H16N6O/c20-17(21)11-3-1-10(2-4-11)15-7-8-16(26-15)19-24-13-6-5-12(18(22)23)9-14(13)25-19/h1-9H,(H3,20,21)(H3,22,23)(H,24,25) | | Synonyms: | DB 293 | | Definition date: | 2006-08-18 | | Last modified: | 2021-03-01 | | Identifier: | 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1H-benzimidazole-5-carboximidamide |
|
 | | MC5 | | Name: | (5S)-5-({6-[(2-fluorobenzyl)oxy]naphthalen-2-yl}methyl)-1,3-thiazolidine-2,4-dione | | Formula: | C21 H16 F N O3 S | | SMILES: | Fc1ccccc1COc3ccc2cc(ccc2c3)CC4SC(=O)NC4=O | | InChi: | InChI=1S/C21H16FNO3S/c22-18-4-2-1-3-16(18)12-26-17-8-7-14-9-13(5-6-15(14)11-17)10-19-20(24)23-21(25)27-19/h1-9,11,19H,10,12H2,(H,23,24,25)/t19-/m0/s1 | | Synonyms: | Netoglitazone | | Definition date: | 2011-06-22 | | Last modified: | 2021-03-01 | | Identifier: | (5S)-5-({6-[(2-fluorobenzyl)oxy]naphthalen-2-yl}methyl)-1,3-thiazolidine-2,4-dione |
|
 | | MC8 | | Name: | 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-{[(1S)-2-{[(3R,5Z)-3-{4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-3-hydroxy-1,2,3lambda~4~,4-dioxathiazolidin-5-ylidene]amino}-1-formylethyl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid | | Formula: | C23 H28 N10 O13 S2 | | SMILES: | O=C(O)C(ON=C(c1nc(sc1)N)C(=O)NC(C=O)C/N=C4OOS(O)(N3N=C(c2ncc(O)c(O)c2)N(C3=O)CC(O)CO)N4)(C)C | | InChi: | InChI=1S/C23H28N10O13S2/c1-23(2,19(40)41)45-30-16(13-9-47-20(24)28-13)18(39)27-10(7-34)4-26-21-31-48(43,46-44-21)33-22(42)32(6-11(36)8-35)17(29-33)12-3-14(37)15(38)5-25-12/h3,5,7,9-11,35-36,38,43H,4,6,8H2,1-2H3,(H2,24,28)(H,25,37)(H,26,31)(H,27,39)(H,40,41)/b30-16-/t10-,11+/m0/s1 | | Synonyms: | MC-1 | | Definition date: | 2010-10-26 | | Last modified: | 2021-03-01 | | Identifier: | 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-{[(2S)-1-{[(3R,5Z)-3-{4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-3-hydroxy-1,2,3lambda~4~,4-dioxathiazolidin-5-ylidene]amino}-3-oxopropan-2-yl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid |
|
 | | 1OD | | Name: | (4S,5R)-N,N-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide | | Formula: | C31 H34 N4 O10 | | SMILES: | O=C(N(CCCNC(=O)c1cccc(O)c1O)CCCNC(=O)c2cccc(O)c2O)C3N=C(OC3C)c4cccc(O)c4O | | InChi: | InChI=1S/C31H34N4O10/c1-17-24(34-30(45-17)20-9-4-12-23(38)27(20)41)31(44)35(15-5-13-32-28(42)18-7-2-10-21(36)25(18)39)16-6-14-33-29(43)19-8-3-11-22(37)26(19)40/h2-4,7-12,17,24,36-41H,5-6,13-16H2,1H3,(H,32,42)(H,33,43)/t17-,24+/m1/s1 | | Synonyms: | fluvibactin | | Definition date: | 2013-06-17 | | Last modified: | 2021-03-01 | | Release date: | 2013-07-31 | | Identifier: | (4S,5R)-N,N-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide |
|
 | | MCG | | Name: | (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE | | Formula: | C10 H11 N O4 | | SMILES: | O=C(O)C(N)(c1ccc(C(=O)O)cc1)C | | InChi: | InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1 | | Synonyms: | 4-(1-AMINO-1-CARBOXY-ETHYL)-BENZOIC ACID | | Definition date: | 2002-01-07 | | Last modified: | 2021-03-01 | | Identifier: | 4-[(1S)-1-amino-1-carboxyethyl]benzoic acid |
|
 | | MD2 | | Name: | N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-DIAMINE | | Formula: | C12 H20 N2 | | SMILES: | C(=CCNCCCCNC/C=C=C)=C | | InChi: | InChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h5-6,13-14H,1-2,7-12H2 | | Synonyms: | MDL72527 | | Definition date: | 1999-08-03 | | Last modified: | 2021-03-01 | | Identifier: | N,N'-dibuta-2,3-dien-1-ylbutane-1,4-diamine |
|
 | | 1PE | | Name: | PENTAETHYLENE GLYCOL | | Formula: | C10 H22 O6 | | SMILES: | O(CCO)CCOCCOCCOCCO | | InChi: | InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2 | | Synonyms: | PEG400 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 3,6,9,12-tetraoxatetradecane-1,14-diol |
|
 | | 1PQ | | Name: | (4S)-N~4~-(6-methoxyquinolin-8-yl)pentane-1,4-diamine | | Formula: | C15 H21 N3 O | | SMILES: | COc1cc(N[CH](C)CCCN)c2ncccc2c1 | | InChi: | InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/t11-/m0/s1 | | Synonyms: | primaquine | | Definition date: | 2012-06-06 | | Last modified: | 2021-03-01 | | Release date: | 2013-03-13 | | Identifier: | (4S)-N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine |
|
 | | 1PV | | Name: | [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid | | Formula: | C27 H25 B F2 N2 O6 S | | SMILES: | Fc1c(B(O)O)ccc(c1)CN(c4c(cc2c(oc(c2C(=O)NC)c3ccc(F)cc3)c4)C5CC5)S(=O)(=O)C | | InChi: | InChI=1S/C27H25BF2N2O6S/c1-31-27(33)25-20-12-19(16-4-5-16)23(13-24(20)38-26(25)17-6-8-18(29)9-7-17)32(39(2,36)37)14-15-3-10-21(28(34)35)22(30)11-15/h3,6-13,16,34-35H,4-5,14H2,1-2H3,(H,31,33) | | Synonyms: | GSK5852 | | Definition date: | 2013-04-23 | | Last modified: | 2021-03-01 | | Release date: | 2013-05-08 | | Identifier: | [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid |
|
 | | MEI | | Name: | (2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID | | Formula: | C16 H28 O3 | | SMILES: | O=C(O)C=C(C=CCC(CCCC(OC)(C)C)C)C | | InChi: | InChI=1S/C16H28O3/c1-13(10-7-11-16(3,4)19-5)8-6-9-14(2)12-15(17)18/h6,9,12-13H,7-8,10-11H2,1-5H3,(H,17,18)/b9-6+,14-12+/t13-/m1/s1 | | Synonyms: | METOPRENIC ACID | | Definition date: | 2003-08-26 | | Last modified: | 2021-03-01 | | Identifier: | (2E,4E,7S)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid |
|
 | | 1QK | | Name: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium | | Formula: | C21 H29 N6 O2 | | SMILES: | n2c(cc(NCc1ccc[n+](O)c1)n3ncc(c23)CC)N4C(CCO)CCCC4 | | InChi: | InChI=1S/C21H29N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28-29H,2-4,7-8,10-11,13H2,1H3/q+1/t18-/m0/s1 | | Synonyms: | DINACICLIB | | Definition date: | 2013-04-26 | | Last modified: | 2021-03-01 | | Identifier: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium |
|
 | | MEM | | Name: | (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | | Formula: | C17 H25 N3 O5 S | | SMILES: | O=C(N(C)C)C3NCC(SC2=C(C(=O)O)N1C(=O)C(C(O)C)C1C2C)C3 | | InChi: | InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1 | | Synonyms: | Meropenem (closed form) | | Definition date: | 2012-04-30 | | Last modified: | 2021-03-01 | | Identifier: | (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
|
 | | 1QW | | Name: | (2R)-2,3-dihydroxypropyl dodecanoate | | Formula: | C15 H30 O4 | | SMILES: | O=C(OCC(O)CO)CCCCCCCCCCC | | InChi: | InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3/t14-/m1/s1 | | Synonyms: | 1-Lauroyl-rac-glycerol | | Definition date: | 2013-05-01 | | Last modified: | 2021-03-01 | | Release date: | 2013-09-18 | | Identifier: | (2R)-2,3-dihydroxypropyl dodecanoate |
|
 | | MF5 | | Name: | 1-(1-methylpyridin-1-ium-2-yl)-N-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]methanimine | | Formula: | C14 H10 F5 N2 O | | SMILES: | Fc1c(F)c(F)c(F)c(F)c1CON=Cc2[n+](cccc2)C | | InChi: | InChI=1S/C14H10F5N2O/c1-21-5-3-2-4-8(21)6-20-22-7-9-10(15)12(17)14(19)13(18)11(9)16/h2-6H,7H2,1H3/q+1/b20-6+ | | Synonyms: | methyl2-(pentafluorobenzyloxyimino)pyridinium | | Definition date: | 2012-07-04 | | Last modified: | 2021-03-01 | | Release date: | 2012-08-24 | | Identifier: | 1-methyl-2-[(E)-{[(pentafluorobenzyl)oxy]imino}methyl]pyridinium |
|
 | | 1R4 | | Name: | L-gamma-glutamyl-S-[2-(4-nitrophenyl)-2-oxoethyl]-L-cysteinylglycine | | Formula: | C18 H22 N4 O9 S | | SMILES: | O=[N+]([O-])c1ccc(C(=O)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)cc1 | | InChi: | InChI=1S/C18H22N4O9S/c19-12(18(28)29)5-6-15(24)21-13(17(27)20-7-16(25)26)8-32-9-14(23)10-1-3-11(4-2-10)22(30)31/h1-4,12-13H,5-9,19H2,(H,20,27)(H,21,24)(H,25,26)(H,28,29)/t12-,13-/m0/s1 | | Synonyms: | S-(4-nitrophenacyl)glutathione | | Definition date: | 2013-01-22 | | Last modified: | 2021-03-01 | | Release date: | 2013-04-24 | | Identifier: | L-gamma-glutamyl-S-[2-(4-nitrophenyl)-2-oxoethyl]-L-cysteinylglycine |
|
 | | MFX | | Name: | 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | | Formula: | C21 H24 F N3 O4 | | SMILES: | Fc2cc1C(=O)C(C(=O)O)=CN(c1c(OC)c2N4CC3CCCNC3C4)C5CC5 | | InChi: | InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1 | | Synonyms: | moxifloxacin | | Definition date: | 2009-01-15 | | Last modified: | 2021-03-01 | | Identifier: | 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
|
 | | MG0 | | Name: | 2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol | | Formula: | C18 H18 F6 N4 O3 S | | SMILES: | O=S(=O)(c1ccc(nc1)N)N3CCN(c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)CC3 | | InChi: | InChI=1S/C18H18F6N4O3S/c19-17(20,21)16(29,18(22,23)24)12-1-3-13(4-2-12)27-7-9-28(10-8-27)32(30,31)14-5-6-15(25)26-11-14/h1-6,11,29H,7-10H2,(H2,25,26) | | Synonyms: | AMG-5980 | | Definition date: | 2013-10-02 | | Last modified: | 2021-03-01 | | Release date: | 2014-05-07 | | Identifier: | 2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol |
|
 | | MGD | | Name: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE | | Formula: | C20 H26 N10 O13 P2 S2 | | SMILES: | O=C1C=2NC3C(S)=C(S)C(OC3NC=2N=C(N)N1)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4=O)C(O)C6O | | InChi: | InChI=1S/C20H26N10O13P2S2/c21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34/h3-6,9-10,17-18,24,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33)/t4-,5-,6+,9-,10-,17-,18-/m1/s1 | | Synonyms: | MOLYBDOPTERIN GUANOSINE DINUCLEOTIDE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 5'-O-[(R)-{[(S)-{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine |
|
 | | MGJ | | Name: | N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-N-methyl-L-histidinamide | | Formula: | C20 H27 N5 O4 | | SMILES: | O=C(O)CN(CCCc1ccccc1)CC(=O)NC(C(=O)NC)Cc2ncnc2 | | InChi: | InChI=1S/C20H27N5O4/c1-21-20(29)17(10-16-11-22-14-23-16)24-18(26)12-25(13-19(27)28)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,11,14,17H,5,8-10,12-13H2,1H3,(H,21,29)(H,22,23)(H,24,26)(H,27,28)/t17-/m0/s1 | | Synonyms: | [{[(S)-2-(1H-Imidazol-4-yl)-1-methylcarbamoyl-ethylcarbamoyl]-methyl}-(3-phenyl-propyl)-amino]-acetic acid | | Definition date: | 2011-04-19 | | Last modified: | 2021-03-01 | | Release date: | 2013-08-28 | | Identifier: | N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-N-methyl-L-histidinamide |
|
 | | MGK | | Name: | methyl N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-L-histidinate | | Formula: | C20 H26 N4 O5 | | SMILES: | O=C(O)CN(CCCc1ccccc1)CC(=O)NC(C(=O)OC)Cc2cncn2 | | InChi: | InChI=1S/C20H26N4O5/c1-29-20(28)17(10-16-11-21-14-22-16)23-18(25)12-24(13-19(26)27)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,11,14,17H,5,8-10,12-13H2,1H3,(H,21,22)(H,23,25)(H,26,27)/t17-/m0/s1 | | Synonyms: | ((S)-2-{2-[Carboxymethyl-(3-phenyl-propyl)-amino]-acetylamino}-3-(1H-imidazol-4-yl)-propionic acid methyl ester | | Definition date: | 2011-04-19 | | Last modified: | 2021-03-01 | | Release date: | 2013-04-03 | | Identifier: | methyl N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-L-histidinate |
|
 | | MGZ | | Name: | (2R)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid | | Formula: | C15 H10 Cl F3 O3 | | SMILES: | Clc1ccc(cc1)C(Oc2cc(ccc2)C(F)(F)F)C(=O)O | | InChi: | InChI=1S/C15H10ClF3O3/c16-11-6-4-9(5-7-11)13(14(20)21)22-12-3-1-2-10(8-12)15(17,18)19/h1-8,13H,(H,20,21)/t13-/m1/s1 | | Synonyms: | Metaglidasen | | Definition date: | 2014-04-08 | | Last modified: | 2021-03-01 | | Release date: | 2015-02-11 | | Identifier: | (2R)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid |
|
 | | 1SZ | | Name: | N-[5-[[4-[[5-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxidanylidene-butyl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]imidazole-2-carboxamide | | Formula: | C58 H71 N21 O10 | | SMILES: | O=C(NCCCN(C)C)CCNC(=O)c1cc(cn1C)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)NC(=O)c4cc(cn4C)NC(=O)CCCNC(=O)c5cc(cn5C)NC(=O)c8nc(NC(=O)c7cc(NC(=O)c6nccn6C)cn7C)cn8C | | InChi: | InChI=1S/C58H71N21O10/c1-71(2)19-12-16-59-47(80)14-17-62-52(83)41-22-35(28-73(41)4)64-54(85)43-25-37(30-76(43)7)66-55(86)44-24-36(29-77(44)8)65-53(84)42-21-34(27-75(42)6)63-48(81)13-11-15-61-51(82)40-23-38(31-74(40)5)68-58(89)50-69-46(33-79(50)10)70-56(87)45-26-39(32-78(45)9)67-57(88)49-60-18-20-72(49)3/h18,20-33H,11-17,19H2,1-10H3,(H,59,80)(H,61,82)(H,62,83)(H,63,81)(H,64,85)(H,65,84)(H,66,86)(H,67,88)(H,68,89)(H,70,87) | | Synonyms: | PYRROLE-IMIDAZOLE POLYAMIDE | | Definition date: | 2013-07-08 | | Last modified: | 2021-03-01 | | Release date: | 2013-07-17 | | Identifier: | N-(5-{[4-({5-[(5-{[5-({5-[(3-{[3-(dimethylamino)propyl]amino}-3-oxopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}amino)-4-oxobutyl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)-1-methyl-4-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-imidazole-2-carboxamide |
|
 | | 1TB | | Name: | METHYL 2-[4-METHOXY-6-METHYL-1,3,5-TRAZIN-2-YL(METHYL)CARBAMOYLSULFAMOYL]BENZOATE | | Formula: | C15 H17 N5 O6 S | | SMILES: | O=C(OC)c1ccccc1S(=O)(=O)NC(=O)N(c2nc(nc(OC)n2)C)C | | InChi: | InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22) | | Synonyms: | TRIBENURON METHYL | | Definition date: | 2004-07-01 | | Last modified: | 2021-03-01 | | Identifier: | methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoate |
|
