 | | ZER | | Name: | (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione | | Formula: | C18 H22 O5 | | SMILES: | O=C1OC(CCCC(=O)CCCC=Cc2cc(O)cc(O)c12)C | | InChi: | InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1 | | Synonyms: | Zearalenone | | Definition date: | 2014-10-16 | | Last modified: | 2020-06-17 | | Release date: | 2014-11-26 | | Identifier: | (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione |
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 | | 2G6 | | Name: | P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-1-((3,3-dimethylbutyl)amino)-4-methyl-1-oxopentan-2-yl)phosphonamidic
acid | | Formula: | C21 H36 N3 O5 P | | SMILES: | O=C(NCCC(C)(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C | | InChi: | InChI=1S/C21H36N3O5P/c1-16(2)13-18(19(25)22-12-11-21(3,4)5)24-30(27,28)15-23-20(26)29-14-17-9-7-6-8-10-17/h6-10,16,18H,11-15H2,1-5H3,(H,22,25)(H,23,26)(H2,24,27,28)/t18-/m0/s1 | | Synonyms: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3,3-dimethylbutyl)-L-leucinamide | | Definition date: | 2013-10-11 | | Last modified: | 2020-06-17 | | Release date: | 2014-04-02 | | Identifier: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3,3-dimethylbutyl)-L-leucinamide |
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 | | HMX | | Name: | 3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide | | Formula: | C12 H18 Cl N7 O | | SMILES: | NC(N)=NC(=O)c1nc(Cl)c(nc1N)N2CCCCCC2 | | InChi: | InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21) | | Synonyms: | HMA | | Definition date: | 2018-02-15 | | Last modified: | 2020-06-17 | | Release date: | 2018-12-19 | | Identifier: | 3-azanyl-5-(azepan-1-yl)-~{N}-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide |
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 | | 2G8 | | Name: | P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-oxo-1-(propylamino)pentan-2-yl)phosphonamidic acid | | Formula: | C18 H30 N3 O5 P | | SMILES: | O=C(NCCC)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C | | InChi: | InChI=1S/C18H30N3O5P/c1-4-10-19-17(22)16(11-14(2)3)21-27(24,25)13-20-18(23)26-12-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3,(H,19,22)(H,20,23)(H2,21,24,25)/t16-/m0/s1 | | Synonyms: | N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-propyl-L-leucinamide | | Definition date: | 2013-10-11 | | Last modified: | 2020-06-17 | | Release date: | 2014-04-02 | | Identifier: | N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-propyl-L-leucinamide |
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 | | 2G9 | | Name: | P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-(((S)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic
acid | | Formula: | C20 H34 N3 O5 P | | SMILES: | O=C(NCC(C)CC)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C | | InChi: | InChI=1S/C20H34N3O5P/c1-5-16(4)12-21-19(24)18(11-15(2)3)23-29(26,27)14-22-20(25)28-13-17-9-7-6-8-10-17/h6-10,15-16,18H,5,11-14H2,1-4H3,(H,21,24)(H,22,25)(H2,23,26,27)/t16-,18-/m0/s1 | | Synonyms: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2S)-2-methylbutyl]-L-leucinamide | | Definition date: | 2013-10-11 | | Last modified: | 2020-06-17 | | Release date: | 2014-04-02 | | Identifier: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2S)-2-methylbutyl]-L-leucinamide |
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 | | HN5 | | Name: | (1S,2R,5S,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol | | Formula: | C20 H31 N O3 | | SMILES: | OC1CCC(N2C1C(O)C(O)C2)CCc3ccc(cc3)C(C)(C)C | | InChi: | InChI=1S/C20H31NO3/c1-20(2,3)14-7-4-13(5-8-14)6-9-15-10-11-16(22)18-19(24)17(23)12-21(15)18/h4-5,7-8,15-19,22-24H,6,9-12H2,1-3H3/t15-,16+,17+,18+,19+/m0/s1 | | Synonyms: | (1S,2R,5S,8R,8aR)-5-[2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine | | Definition date: | 2008-09-25 | | Last modified: | 2020-06-17 | | Identifier: | (1S,2R,5S,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol |
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 | | HN7 | | Name: | 1-(4-tert-butylphenyl)-2-[(1S,2R,5S,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone | | Formula: | C20 H29 N O4 | | SMILES: | O=C(c1ccc(cc1)C(C)(C)C)CC2N3C(C(O)CC2)C(O)C(O)C3 | | InChi: | InChI=1S/C20H29NO4/c1-20(2,3)13-6-4-12(5-7-13)16(23)10-14-8-9-15(22)18-19(25)17(24)11-21(14)18/h4-7,14-15,17-19,22,24-25H,8-11H2,1-3H3/t14-,15+,17+,18+,19+/m0/s1 | | Synonyms: | (1S,2R,5S,8R,8aR)-5-[2'-oxo-2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine | | Definition date: | 2008-09-25 | | Last modified: | 2020-06-17 | | Identifier: | 1-(4-tert-butylphenyl)-2-[(1S,2R,5S,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone |
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 | | HN8 | | Name: | Haemanthamine | | Formula: | C17 H19 N O4 | | SMILES: | CO[CH]1C[CH]2[N]3C[CH](O)[C]2(C=C1)c4cc5OCOc5cc4C3 | | InChi: | InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15+,16+,17+/m1/s1 | | Synonyms: | Haemanthamin | | Definition date: | 2017-08-03 | | Last modified: | 2020-06-17 | | Release date: | 2018-02-28 |
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 | | HNG | | Name: | 2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | | Formula: | C7 H9 N5 O | | SMILES: | N2=C(Nc1ncc(c1C2=O)CN)N | | InChi: | InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13) | | Synonyms: | PreQ1 | | Definition date: | 2018-07-12 | | Last modified: | 2020-06-17 | | Release date: | 2019-04-10 | | Identifier: | 2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
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 | | ZXI | | Name: | 1-(4-iodophenyl)methanamine | | Formula: | C7 H8 I N | | SMILES: | C(c1ccc(cc1)I)N | | InChi: | InChI=1S/C7H8IN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2 | | Synonyms: | 4-Iodobenzylamine | | Definition date: | 2017-12-28 | | Last modified: | 2020-06-17 | | Release date: | 2018-12-26 | | Identifier: | 1-(4-iodophenyl)methanamine |
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 | | 2GZ | | Name: | P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-(neopentylamino)-1-oxopentan-2-yl)phosphonamidic acid | | Formula: | C20 H34 N3 O5 P | | SMILES: | O=C(NCC(C)(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C | | InChi: | InChI=1S/C20H34N3O5P/c1-15(2)11-17(18(24)21-13-20(3,4)5)23-29(26,27)14-22-19(25)28-12-16-9-7-6-8-10-16/h6-10,15,17H,11-14H2,1-5H3,(H,21,24)(H,22,25)(H2,23,26,27)/t17-/m0/s1 | | Synonyms: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2,2-dimethylpropyl)-L-leucinamide | | Definition date: | 2013-10-17 | | Last modified: | 2020-06-17 | | Release date: | 2014-04-02 | | Identifier: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2,2-dimethylpropyl)-L-leucinamide |
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 | | HNQ | | Name: | 5-nitroquinolin-8-ol | | Formula: | C9 H6 N2 O3 | | SMILES: | [O-][N+](=O)c1ccc(O)c2ncccc12 | | InChi: | InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H | | Synonyms: | NITROXOLINE | | Definition date: | 2010-05-26 | | Last modified: | 2020-06-17 | | Identifier: | 5-nitroquinolin-8-ol |
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 | | ZXU | | Name: | N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-Nalpha-[(2E)-3-(3,4-dihydroxyphenyl
)prop-2-enoyl]-L-tyrosinamide | | Formula: | C36 H32 N2 O12 | | SMILES: | N(C(C(=O)NCCCOC=1C(=O)c3c(OC=1c2ccc(c(c2)O)O)cc(cc3O)O)Cc4ccc(cc4)O)C(=O)[C@H]=[C@H]c5ccc(c(c5)O)O | | InChi: | InChI=1S/C36H32N2O12/c39-22-7-2-19(3-8-22)14-24(38-31(46)11-5-20-4-9-25(41)27(43)15-20)36(48)37-12-1-13-49-35-33(47)32-29(45)17-23(40)18-30(32)50-34(35)21-6-10-26(42)28(44)16-21/h2-11,15-18,24,39-45H,1,12-14H2,(H,37,48)(H,38,46)/b11-5+/t24-/m0/s1 | | Synonyms: | synthetic Montbretin A analogue | | Definition date: | 2019-03-22 | | Last modified: | 2020-06-17 | | Release date: | 2020-02-12 | | Identifier: | N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-Nalpha-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-tyrosinamide |
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 | | 2H3 | | Name: | (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol | | Formula: | C6 H12 O6 | | SMILES: | OC1C(O)C(O)C(O)C(O)C1O | | InChi: | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6- | | Synonyms: | scyllo-inositol | | Definition date: | 2013-10-18 | | Last modified: | 2020-06-17 | | Release date: | 2015-04-15 | | Identifier: | (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol |
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 | | 2HB | | Name: | N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide | | Formula: | C21 H23 N5 O3 S | | SMILES: | O=S5(=O)CCN(Cc4ccc(c2cccc1nc(nn12)NC(=O)C3CC3)cc4)CC5 | | InChi: | InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | | Synonyms: | G146034 | | Definition date: | 2014-03-28 | | Last modified: | 2020-06-17 | | Release date: | 2014-11-19 | | Identifier: | N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide |
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 | | 2HC | | Name: | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | | Formula: | C9 H8 O3 | | SMILES: | O=C(O)/C=C/c1ccccc1O | | InChi: | InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+ | | Synonyms: | TRANS-2-HYDROXYCINNAMIC ACID | | Definition date: | 2003-12-22 | | Last modified: | 2020-06-17 | | Identifier: | (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid |
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 | | ZZ1 | | Name: | 4-METHYL-2H-CHROMEN-2-ONE | | Formula: | C10 H8 O2 | | SMILES: | O=C2Oc1ccccc1C(=C2)C | | InChi: | InChI=1S/C10H8O2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3 | | Synonyms: | 4-METHYLUMBELLIFERYL | | Definition date: | 2006-03-24 | | Last modified: | 2020-06-17 | | Identifier: | 4-methyl-2H-chromen-2-one |
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 | | HP4 | | Name: | phosphinate | | Formula: | H2 O2 P | | SMILES: | [O-][PH2]=O | | InChi: | InChI=1S/H3O2P/c1-3-2/h3H2,(H,1,2)/p-1 | | Synonyms: | Hypophosphite | | Definition date: | 2016-11-14 | | Last modified: | 2020-06-17 | | Release date: | 2017-11-29 | | Identifier: | phosphinate |
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 | | ZZ7 | | Name: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | | Formula: | C16 H21 N3 O5 S | | SMILES: | O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)N | | InChi: | InChI=1S/C16H21N3O5S/c1-16(2)11(15(23)24)19-13(25-16)10(14(21)22)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,13,19H,17H2,1-2H3,(H,18,20)(H,21,22)(H,23,24)/t9-,10+,11+,13-/m1/s1 | | Synonyms: | AMPICILLIN (open form) | | Definition date: | 2009-06-11 | | Last modified: | 2020-06-17 | | Identifier: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | ZIL | | Name: | N-[(benzyloxy)carbonyl]-L-isoleucyl-L-leucine | | Formula: | C20 H30 N2 O5 | | SMILES: | O=C(O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)CC)CC(C)C | | InChi: | InChI=1S/C20H30N2O5/c1-5-14(4)17(18(23)21-16(19(24)25)11-13(2)3)22-20(26)27-12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,5,11-12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)/t14-,16-,17-/m0/s1 | | Synonyms: | Z-Ile-Leu | | Definition date: | 2014-07-23 | | Last modified: | 2020-06-17 | | Release date: | 2014-10-08 | | Identifier: | N-[(benzyloxy)carbonyl]-L-isoleucyl-L-leucine |
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 | | HP8 | | Name: | 5'-O-{[(2,3-dihydroxyphenyl)carbonyl]sulfamoyl}adenosine | | Formula: | C17 H18 N6 O9 S | | SMILES: | O=C(c1cccc(O)c1O)NS(=O)(=O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O | | InChi: | InChI=1S/C17H18N6O9S/c18-14-10-15(20-5-19-14)23(6-21-10)17-13(27)12(26)9(32-17)4-31-33(29,30)22-16(28)7-2-1-3-8(24)11(7)25/h1-3,5-6,9,12-13,17,24-27H,4H2,(H,22,28)(H2,18,19,20)/t9-,12-,13-,17-/m1/s1 | | Synonyms: | 5'-O-[N-(2,3-dihydroxybenzoyl)sulfamoyl] adenosine | | Definition date: | 2010-08-03 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-[(2,3-dihydroxybenzoyl)sulfamoyl]adenosine |
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 | | HQL | | Name: | 4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL-5-YL)PROPYL]PIPERIDINE | | Formula: | C22 H27 N5 O | | SMILES: | O(C2CCN(CCCc1nnnn1)CC2)C(c3ccccc3)c4ccccc4 | | InChi: | InChI=1S/C22H27N5O/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)28-20-13-16-27(17-14-20)15-7-12-21-23-25-26-24-21/h1-6,8-11,20,22H,7,12-17H2,(H,23,24,25,26) | | Synonyms: | HQL-79 | | Definition date: | 2005-06-15 | | Last modified: | 2020-06-17 | | Identifier: | 4-(diphenylmethoxy)-1-[3-(1H-tetrazol-5-yl)propyl]piperidine |
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 | | 2K2 | | Name: | PKC412 | | Formula: | C35 H30 N4 O4 | | SMILES: | O=C(c1ccccc1)N(C9C(OC)C8(OC(n6c5c3n8c2ccccc2c3c4c(C(=O)NC4)c5c7ccccc67)C9)C)C | | InChi: | InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 | | Synonyms: | N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonon
a[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide | | Definition date: | 2013-11-13 | | Last modified: | 2020-06-17 | | Release date: | 2015-04-01 | | Identifier: | N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide |
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 | | ZLD | | Name: | N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide | | Formula: | C16 H20 F N3 O4 | | SMILES: | O=C1OC(CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3 | | InChi: | InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1 | | Synonyms: | Linezolid | | Definition date: | 2008-06-03 | | Last modified: | 2020-06-17 | | Identifier: | N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide |
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 | | 2KZ | | Name: | 2-amino maleic acid | | Formula: | C4 H5 N O4 | | SMILES: | O=C(O)C=C(N)C(=O)O | | InChi: | InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h1H,5H2,(H,6,7)(H,8,9)/b2-1+ | | Synonyms: | (2E)-2-aminobut-2-enedioic acid | | Definition date: | 2014-04-11 | | Last modified: | 2020-06-17 | | Release date: | 2015-03-11 | | Identifier: | (2E)-2-aminobut-2-enedioic acid |
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