| 2L0 | Name: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-leucinamide | Formula: | C29 H49 N3 O6 | SMILES: | O=C(NC(CC(C)C)C(O)C(C)CO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C | InChi: | InChI=1S/C29H49N3O6/c1-18(2)13-23(26(34)21(7)16-33)30-27(35)24(14-19(3)4)31-28(36)25(15-20(5)6)32-29(37)38-17-22-11-9-8-10-12-22/h8-12,18-21,23-26,33-34H,13-17H2,1-7H3,(H,30,35)(H,31,36)(H,32,37)/t21-,23+,24+,25+,26+/m1/s1 | Synonyms: | PHQ-LEU-LEU-LEU-EPOXYKETONE, bound form | Definition date: | 2013-11-25 | Last modified: | 2020-06-17 | Release date: | 2014-02-12 | Identifier: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-leucinamide |
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| HS6 | Name: | 2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide | Formula: | C8 H7 F N2 O4 S | SMILES: | O=S(=O)(c1ccc(F)cc1)NCC(=O)N=O | InChi: | InChI=1S/C8H7FN2O4S/c9-6-1-3-7(4-2-6)16(14,15)10-5-8(12)11-13/h1-4,10H,5H2 | Synonyms: | 4-fluoro-N-(2-nitroso-2-oxoethyl)benzenesulfonamide | Definition date: | 2008-11-04 | Last modified: | 2020-06-17 | Identifier: | N~2~-[(4-fluorophenyl)sulfonyl]-N-oxoglycinamide |
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| HS7 | Name: | N-oxo-2-(phenylsulfonylamino)ethanamide | Formula: | C8 H8 N2 O4 S | SMILES: | O=S(=O)(NCC(=O)N=O)c1ccccc1 | InChi: | InChI=1S/C8H8N2O4S/c11-8(10-12)6-9-15(13,14)7-4-2-1-3-5-7/h1-5,9H,6H2 | Synonyms: | N-(2-nitroso-2-oxoethyl)benzenesulfonamide | Definition date: | 2008-11-04 | Last modified: | 2020-06-17 | Identifier: | N-oxo-N~2~-(phenylsulfonyl)glycinamide |
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| 2LV | Name: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-L-leucinamide | Formula: | C33 H48 N4 O6 | SMILES: | O=C(Nc1ccccc1)C(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C)CC(C)C | InChi: | InChI=1S/C33H48N4O6/c1-21(2)17-26(29(38)32(41)34-25-15-11-8-12-16-25)35-30(39)27(18-22(3)4)36-31(40)28(19-23(5)6)37-33(42)43-20-24-13-9-7-10-14-24/h7-16,21-23,26-29,38H,17-20H2,1-6H3,(H,34,41)(H,35,39)(H,36,40)(H,37,42)/t26-,27-,28-,29-/m0/s1 | Synonyms: | PHQ-Leu-Leu-Leu-ketoamide, bound form | Definition date: | 2013-11-29 | Last modified: | 2020-06-17 | Release date: | 2014-02-12 | Identifier: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-L-leucinamide |
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| HSS | Name: | 5'-O-[(L-HISTIDYLAMINO)SULFONYL]ADENOSINE | Formula: | C16 H21 N9 O7 S | SMILES: | O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc4cncn4 | InChi: | InChI=1S/C16H21N9O7S/c17-8(1-7-2-19-4-20-7)15(28)24-33(29,30)31-3-9-11(26)12(27)16(32-9)25-6-23-10-13(18)21-5-22-14(10)25/h2,4-6,8-9,11-12,16,26-27H,1,3,17H2,(H,19,20)(H,24,28)(H2,18,21,22)/t8-,9+,11+,12+,16+/m0/s1 | Synonyms: | 5'-O-[N-(L-HISTIDYL)SULFAMOYL]ADENOSINE | Definition date: | 2007-05-25 | Last modified: | 2020-06-17 | Identifier: | 5'-O-(L-histidylsulfamoyl)adenosine |
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| 2MD | Name: | GUANYLATE-O'-PHOSPHORIC ACID
MONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,5,6,7,8A,9,10,10A-OCTAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL) ESTER | Formula: | C20 H28 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/C20H28N10O13P2S2/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/h3-6,9-12,17-18,24,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33)/t4-,5-,6+,9-,10-,11+,12-,17-,18-/m1/s1 | Synonyms: | MOLYBDENUM COFACTOR,BIS (MOLYBDOPTERIN GUANINE DINUCLEOTIDE) | Definition date: | 1999-10-08 | Last modified: | 2020-06-17 | Identifier: | 5'-O-[(R)-{[(S)-{[(5aR,6R,7S,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,6,7,8,9a,10-octahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine |
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| HT2 | Name: | 5-AMIDINO-2-[2-(4-AMIDINOPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE | Formula: | C22 H18 N8 | SMILES: | [N@H]=C(N)c1ccc(cc1)c5nc4ccc(c3nc2ccc(cc2n3)C(=[N@H])N)cc4n5 | InChi: | InChI=1S/C22H18N8/c23-19(24)11-1-3-12(4-2-11)21-27-16-8-6-14(10-18(16)29-21)22-28-15-7-5-13(20(25)26)9-17(15)30-22/h1-10H,(H3,23,24)(H3,25,26)(H,27,29)(H,28,30) | Synonyms: | BIS-AMIDINIUM DERIVATIVE OF HOECHST 33258 | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | 2'-(4-carbamimidoylphenyl)-1H,3'H-2,5'-bibenzimidazole-6-carboximidamide |
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| 2MK | Name: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S)-1,2-dihydroxy-5-methylhexan-3-yl]-L-leucinamide | Formula: | C27 H45 N3 O6 | SMILES: | O=C(NC(CC(C)C)C(O)CO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C | InChi: | InChI=1S/C27H45N3O6/c1-17(2)12-21(24(32)15-31)28-25(33)22(13-18(3)4)29-26(34)23(14-19(5)6)30-27(35)36-16-20-10-8-7-9-11-20/h7-11,17-19,21-24,31-32H,12-16H2,1-6H3,(H,28,33)(H,29,34)(H,30,35)/t21-,22-,23-,24-/m0/s1 | Synonyms: | PHQ-Leu-Leu-Leu-ketoaldehyde, bound form | Definition date: | 2013-12-04 | Last modified: | 2020-06-17 | Release date: | 2014-02-12 | Identifier: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S)-1,2-dihydroxy-5-methylhexan-3-yl]-L-leucinamide |
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| 2NA | Name: | naphthalen-2-ylmethanol | Formula: | C11 H10 O | SMILES: | OCc2ccc1c(cccc1)c2 | InChi: | InChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2 | Synonyms: | Naphthalenemethanol | Definition date: | 2008-09-10 | Last modified: | 2020-06-17 | Identifier: | naphthalen-2-ylmethanol |
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| 2NF | Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]
[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1yl)- 3-fluoro-,4- hydroxyoxolan-2-yl]methyl phosphate | Formula: | C21 H26 F N7 O13 P2 | SMILES: | NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2F | InChi: | InChI=1S/C21H26FN7O13P2/c22-12-14(30)10(40-20(12)28-3-1-2-9(4-28)18(24)33)5-38-43(34,35)42-44(36,37)39-6-11-15(31)16(32)21(41-11)29-8-27-13-17(23)25-7-26-19(13)29/h1-4,7-8,10-12,14-16,20-21,30-32H,5-6H2,(H5-,23,24,25,26,33,34,35,36,37)/t10-,11-,12-,14-,15-,16-,20-,21-/m1/s1 | Synonyms: | nicotinamide 2'-deoxy-2'-fluororibofuranosyl adenine dinucleotide | Definition date: | 2009-03-27 | Last modified: | 2020-06-17 | Identifier: | [(2R,3R,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate |
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| HUI | Name: | (2S)-2-methyl-3-oxidanyl-propanoic acid | Formula: | C4 H8 O3 | SMILES: | C[CH](CO)C(O)=O | InChi: | InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1 | Synonyms: | (S)-3-hydroxyisobutyric acid | Definition date: | 2017-08-29 | Last modified: | 2020-06-17 | Release date: | 2018-07-11 | Identifier: | (2~{S})-2-methyl-3-oxidanyl-propanoic acid |
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| HUL | Name: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one | Formula: | C16 H12 O6 | SMILES: | O=C1c3c(O)c(OC)c(O)cc3OC(=C1)c2ccc(O)cc2 | InChi: | InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3 | Synonyms: | Hispidulin | Definition date: | 2015-01-08 | Last modified: | 2020-06-17 | Release date: | 2015-08-26 | Identifier: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one |
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| ZPA | Name: | 4-(N-benzylsuccinimide-3-sulfanyl)-N-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)butylamidine | Formula: | C26 H37 N3 O11 S | SMILES: | O=C3N(C(=O)CC3SCCCC(=[N@H])NC2OC(COC1OCC(O)C(O)C1O)C(O)C(O)C2O)Cc4ccccc4 | InChi: | InChI=1S/C26H37N3O11S/c27-17(7-4-8-41-16-9-18(31)29(25(16)37)10-13-5-2-1-3-6-13)28-24-22(35)21(34)20(33)15(40-24)12-39-26-23(36)19(32)14(30)11-38-26/h1-3,5-6,14-16,19-24,26,30,32-36H,4,7-12H2,(H2,27,28)/t14-,15-,16-,19+,20-,21+,22-,23-,24-,26+/m1/s1 | Synonyms: | 4-[(3R)-2,5-bis(oxidanylidene)-1-(phenylmethyl)pyrrolidin-3-yl]sulfanyl-N-[(2R,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2
S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]butanimidamide | Definition date: | 2014-01-31 | Last modified: | 2020-06-17 | Release date: | 2014-04-23 | Identifier: | N-[(1Z)-4-{[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]sulfanyl}butanimidoyl]-6-O-beta-D-xylopyranosyl-beta-D-glucopyranosylamine |
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| 2OW | Name: | methyl 4-(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}benzyl)piperazine-1-carboxylate | Formula: | C20 H24 F N5 O3 | SMILES: | O=C(OC)N3CCN(Cc2c(F)c(NC(=O)Nc1ccc(nc1)C)ccc2)CC3 | InChi: | InChI=1S/C20H24FN5O3/c1-14-6-7-16(12-22-14)23-19(27)24-17-5-3-4-15(18(17)21)13-25-8-10-26(11-9-25)20(28)29-2/h3-7,12H,8-11,13H2,1-2H3,(H2,23,24,27) | Synonyms: | omecamtiv mercarbil | Definition date: | 2014-04-23 | Last modified: | 2020-06-17 | Release date: | 2015-07-07 | Identifier: | methyl 4-(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}benzyl)piperazine-1-carboxylate |
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| ZPT | Name: | Trichloro(ethene)platinate(II) | Formula: | C2 H4 Cl3 Pt | SMILES: | [Cl-]|[Pt++]|1(|[Cl-])(|[Cl-])|C=C|1 | InChi: | InChI=1S/C2H4.3ClH.Pt/c1-2 | Synonyms: | Zeise's salt | Definition date: | 2016-07-13 | Last modified: | 2020-06-17 | Release date: | 2016-09-21 |
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| HVG | Name: | 4-[(S)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid | Formula: | C10 H9 N O6 | SMILES: | C(=O)(O)c1ccc(cc1C(O)=O)C(C(O)=O)N | InChi: | InChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1 | Synonyms: | (S)-3,4-Dicarboxyphenylglycine (DCPG) | Definition date: | 2018-07-24 | Last modified: | 2020-06-17 | Release date: | 2018-11-07 | Identifier: | 4-[(S)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid |
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| 2PD | Name: | 5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one | Formula: | C23 H24 N4 O5 S | SMILES: | O=C4N(N=C(c1ccccc1)C(O)=C4C3=Nc2c(cc(OC)cc2)S(=O)(=O)N3)CCC(C)C | InChi: | InChI=1S/C23H24N4O5S/c1-14(2)11-12-27-23(29)19(21(28)20(25-27)15-7-5-4-6-8-15)22-24-17-10-9-16(32-3)13-18(17)33(30,31)26-22/h4-10,13-14,28H,11-12H2,1-3H3,(H,24,26) | Synonyms: | 5-hydroxy-4-(7-methoxy-1,1-dioxo-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one | Definition date: | 2008-01-11 | Last modified: | 2020-06-17 | Identifier: | 5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one |
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| 2PR | Name: | 2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-9H-PURINE-5'-MONOPHOSPHATE | Formula: | C10 H14 N5 O6 P | SMILES: | O=P(O)(O)OCC3OC(n2cnc1cnc(nc12)N)CC3O | InChi: | InChI=1S/C10H14N5O6P/c11-10-12-2-5-9(14-10)15(4-13-5)8-1-6(16)7(21-8)3-20-22(17,18)19/h2,4,6-8,16H,1,3H2,(H2,11,12,14)(H2,17,18,19)/t6-,7+,8+/m0/s1 | Synonyms: | 2-AMINOPURINE-2'-DEOXYRIBO-5'-MONOPHOSPHATE | Definition date: | 2000-07-14 | Last modified: | 2020-06-17 | Identifier: | 9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-2-amine |
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| HWD | Name: | 2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID | Formula: | C7 H9 N3 O4 | SMILES: | O=C(O)C(N)CN1C=CC(=O)NC1=O | InChi: | InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1 | Synonyms: | WILLARDIINE | Definition date: | 2002-09-20 | Last modified: | 2020-06-17 | Identifier: | 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine |
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| 2QE | Name: | (2S,4R)-4-(3-Methoxy-3-oxopropyl) glutamic acid | Formula: | C9 H15 N O6 | SMILES: | O=C(OC)CCC(C(=O)O)CC(C(=O)O)N | InChi: | InChI=1S/C9H15NO6/c1-16-7(11)3-2-5(8(12)13)4-6(10)9(14)15/h5-6H,2-4,10H2,1H3,(H,12,13)(H,14,15)/t5-,6+/m1/s1 | Synonyms: | (4R)-4-(3-methoxy-3-oxopropyl)-L-glutamic acid | Definition date: | 2014-01-18 | Last modified: | 2020-06-17 | Release date: | 2014-08-06 | Identifier: | (4R)-4-(3-methoxy-3-oxopropyl)-L-glutamic acid |
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| 4BT | Name: | 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | Formula: | C12 H18 N4 S2 | SMILES: | S(C(=[N@H])N)CCc1ccc(cc1)CCSC(=[N@H])N | InChi: | InChI=1S/C12H18N4S2/c13-11(14)17-7-5-9-1-2-10(4-3-9)6-8-18-12(15)16/h1-4H,5-8H2,(H3,13,14)(H3,15,16) | Synonyms: | S,S'-(1,4-PHENYLENE-BIS(1,2-ETHANEDIYL))BIS-ISOTHIOUREA | Definition date: | 1999-09-23 | Last modified: | 2020-06-17 | Identifier: | benzene-1,4-diyldiethane-2,1-diyl bis(imidothiocarbamate) |
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| FXA | Name: | N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE | Formula: | C23 H17 Cl N4 O4 S | SMILES: | Clc1ccc(nc1)NS(=O)(=O)c2ccccc2NC(=O)c3ccc(cc3)N4C=CC=CC4=O | InChi: | InChI=1S/C23H17ClN4O4S/c24-17-10-13-21(25-15-17)27-33(31,32)20-6-2-1-5-19(20)26-23(30)16-8-11-18(12-9-16)28-14-4-3-7-22(28)29/h1-15H,(H,25,27)(H,26,30) | Synonyms: | N-{2-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}-4-(2-oxopyridin-1(2H)-yl)benzamide | Definition date: | 2008-03-06 | Last modified: | 2020-06-17 | Identifier: | N-{2-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}-4-(2-oxopyridin-1(2H)-yl)benzamide |
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| FXN | Name: | 5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-(2-MERCAPTO-ETHYL)-AMIDE | Formula: | C11 H11 F N2 O S | SMILES: | Fc1cc2c(cc1)nc(c2)C(=O)NCCS | InChi: | InChI=1S/C11H11FN2OS/c12-8-1-2-9-7(5-8)6-10(14-9)11(15)13-3-4-16/h1-2,5-6,14,16H,3-4H2,(H,13,15) | Synonyms: | FICA | Definition date: | 2004-02-27 | Last modified: | 2020-06-17 | Identifier: | 5-fluoro-N-(2-sulfanylethyl)-1H-indole-2-carboxamide |
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| FXY | Name: | 1-METHYLHEPTYLFORMAMIDE | Formula: | C9 H19 N O | SMILES: | O=CNC(CCCCCC)C | InChi: | InChI=1S/C9H19NO/c1-3-4-5-6-7-9(2)10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)/t9-/m1/s1 | Synonyms: | N-1-METHYLHEPTYLFORMAMIDE | Definition date: | 2004-07-25 | Last modified: | 2020-06-17 | Identifier: | N-[(1R)-1-methylheptyl]formamide |
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| 4D7 | Name: | 3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine | Formula: | C16 H15 N3 O4 | SMILES: | O=C(NC(C(=O)O)Cc2nc1ccccc1n2)c3c(occ3)C | InChi: | InChI=1S/C16H15N3O4/c1-9-10(6-7-23-9)15(20)19-13(16(21)22)8-14-17-11-4-2-3-5-12(11)18-14/h2-7,13H,8H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t13-/m1/s1 | Synonyms: | (R)-3-(1H-Benzoimidazol-2-yl)-2-[(2-methyl-furan-3-carbonyl)-amino]-propionic acid | Definition date: | 2009-10-22 | Last modified: | 2020-06-17 | Identifier: | 3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine |
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