 | | AOL | | Name: | (1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-1,2,3,4-TETROL | | Formula: | C5 H11 N O4 | | SMILES: | OC1C(N)C(O)C(O)C1O | | InChi: | InChI=1S/C5H11NO4/c6-1-2(7)4(9)5(10)3(1)8/h1-5,7-10H,6H2/t1-,2+,3-,4+,5- | | Definition date: | 2006-01-24 | | Last modified: | 2011-06-04 | | Identifier: | (1R,2R,3S,4S,5r)-5-aminocyclopentane-1,2,3,4-tetrol |
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 | | SX1 | | Name: | 2-amino-5-bromobenzoic acid | | Formula: | C7 H6 Br N O2 | | SMILES: | Brc1cc(C(=O)O)c(N)cc1 | | InChi: | InChI=1S/C7H6BrNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11) | | Definition date: | 2008-03-13 | | Last modified: | 2011-06-04 | | Identifier: | 2-amino-5-bromobenzoic acid |
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 | | VRX | | Name: | (2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID | | Formula: | C18 H15 F N2 O4 S | | SMILES: | O=C(O)C(NC1=NC(=O)C(S1)=Cc2oc(cc2)CC)c3ccc(F)cc3 | | InChi: | InChI=1S/C18H15FN2O4S/c1-2-12-7-8-13(25-12)9-14-16(22)21-18(26-14)20-15(17(23)24)10-3-5-11(19)6-4-10/h3-9,15H,2H2,1H3,(H,23,24)(H,20,21,22)/b14-9-/t15-/m0/s1 | | Definition date: | 2006-08-02 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-({(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)(4-fluorophenyl)ethanoic acid |
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 | | SX2 | | Name: | 4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid | | Formula: | C9 H9 Br N2 O3 | | SMILES: | O=C(Nc1ncc(Br)cc1)CCC(=O)O | | InChi: | InChI=1S/C9H9BrN2O3/c10-6-1-2-7(11-5-6)12-8(13)3-4-9(14)15/h1-2,5H,3-4H2,(H,14,15)(H,11,12,13) | | Definition date: | 2008-03-13 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid |
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 | | UIZ | | Name: | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL)-1-BENZYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROZILIN-4-YL-BENZAMIDINE | | Formula: | C31 H32 N4 O3 | | SMILES: | O=C2N(C(Cc1ccccc1)C5C2C(c3ccc(C(=[N@H])N)cc3)N4CCCC45)Cc6ccc7OCOc7c6 | | InChi: | InChI=1S/C31H32N4O3/c32-30(33)22-11-9-21(10-12-22)29-28-27(23-7-4-14-34(23)29)24(15-19-5-2-1-3-6-19)35(31(28)36)17-20-8-13-25-26(16-20)38-18-37-25/h1-3,5-6,8-13,16,23-24,27-29H,4,7,14-15,17-18H2,(H3,32,33)/t23-,24?,27+,28-,29-/m0/s1 | | Definition date: | 2005-02-03 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(1S,3aS,4R,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide |
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 | | SX3 | | Name: | 4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline | | Formula: | C14 H19 Br N2 O | | SMILES: | O=C(c1cc(Br)ccc1N)N2CC(CC(C)C2)C | | InChi: | InChI=1S/C14H19BrN2O/c1-9-5-10(2)8-17(7-9)14(18)12-6-11(15)3-4-13(12)16/h3-4,6,9-10H,5,7-8,16H2,1-2H3/t9-,10+ | | Definition date: | 2008-03-13 | | Last modified: | 2011-06-04 | | Identifier: | 4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline |
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 | | LLG | | Name: | 2-aminoethyl naphthalen-1-ylacetate | | Formula: | C14 H15 N O2 | | SMILES: | O=C(OCCN)Cc2cccc1ccccc12 | | InChi: | InChI=1S/C14H15NO2/c15-8-9-17-14(16)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10,15H2 | | Definition date: | 2007-11-26 | | Last modified: | 2011-06-04 | | Identifier: | 2-aminoethyl naphthalen-1-ylacetate |
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 | | J4Z | | Name: | N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | | Formula: | C20 H15 N5 | | SMILES: | n4c(cc(Nc3cc2cc1ccccc1cc2cc3)n5ncnc45)C | | InChi: | InChI=1S/C20H15N5/c1-13-8-19(25-20(23-13)21-12-22-25)24-18-7-6-16-9-14-4-2-3-5-15(14)10-17(16)11-18/h2-12,24H,1H3 | | Definition date: | 2009-07-17 | | Last modified: | 2011-06-04 | | Identifier: | N-(anthracen-2-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
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 | | SX4 | | Name: | 4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline | | Formula: | C18 H18 Br Cl N2 O | | SMILES: | O=C(c1cc(Br)ccc1N)N2CCCC2Cc3ccccc3Cl | | InChi: | InChI=1S/C18H18BrClN2O/c19-13-7-8-17(21)15(11-13)18(23)22-9-3-5-14(22)10-12-4-1-2-6-16(12)20/h1-2,4,6-8,11,14H,3,5,9-10,21H2/t14-/m1/s1 | | Definition date: | 2008-03-13 | | Last modified: | 2011-06-04 | | Identifier: | 4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline |
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 | | LLH | | Name: | (2R,3S,4R)-2,3,4-TRIHYDROXY-5-(HYDROXYAMINO)-5-OXOPENTANOIC ACID | | Formula: | C5 H9 N O7 | | SMILES: | O=C(O)C(O)C(O)C(O)C(=O)NO | | InChi: | InChI=1S/C5H9NO7/c7-1(3(9)5(11)12)2(8)4(10)6-13/h1-3,7-9,13H,(H,6,10)(H,11,12)/t1-,2+,3+/m0/s1 | | Definition date: | 2007-05-01 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3S,4R)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentanoic acid (non-preferred name) |
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 | | SX5 | | Name: | 4-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid | | Formula: | C18 H23 Br N2 O4 | | SMILES: | O=C(c1cc(Br)ccc1NC(=O)CCC(=O)O)N2CC(CC(C)C2)C | | InChi: | InChI=1S/C18H23BrN2O4/c1-11-7-12(2)10-21(9-11)18(25)14-8-13(19)3-4-15(14)20-16(22)5-6-17(23)24/h3-4,8,11-12H,5-7,9-10H2,1-2H3,(H,20,22)(H,23,24)/t11-,12+ | | Definition date: | 2008-03-13 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid |
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 | | RPA | | Name: | RHODOPINAL GLUCOSIDE | | Formula: | C46 H66 O7 | | SMILES: | O(C(CCCC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C=CC=C(/C)C)C)C)CO)C)C)C)(C)C)C1OC(C(O)C(O)C1O)CO | | InChi: | InChI=1S/C46H66O7/c1-34(2)18-12-20-36(4)22-14-25-38(6)27-16-30-40(32-47)29-11-10-19-35(3)21-13-23-37(5)24-15-26-39(7)28-17-31-46(8,9)53-45-44(51)43(50)42(49)41(33-48)52-45/h10-16,18-27,29-30,41-45,47-51H,17,28,31-33H2,1-9H3/b11-10+,20-12?,21-13+,24-15+,25-14+,30-16+,35-19+,36-22+,37-23+,38-27+,39-26+,40-29-/t41-,42-,43+,44-,45+/m1/s1 | | Definition date: | 2001-05-03 | | Last modified: | 2011-06-04 | | Identifier: | (3E)-20-hydroxy-3,4-didehydro-1',2'-dihydro-psi,psi-caroten-1'-yl beta-D-glucopyranoside |
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 | | SX6 | | Name: | N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide | | Formula: | C22 H30 Br N3 O4 | | SMILES: | O=C(N1CCOCC1)CCC(=O)Nc3ccc(Br)cc3C(=O)N2CC(C)CC(C)C2 | | InChi: | InChI=1S/C22H30BrN3O4/c1-15-11-16(2)14-26(13-15)22(29)18-12-17(23)3-4-19(18)24-20(27)5-6-21(28)25-7-9-30-10-8-25/h3-4,12,15-16H,5-11,13-14H2,1-2H3,(H,24,27)/t15-,16+ | | Definition date: | 2008-03-13 | | Last modified: | 2011-06-04 | | Identifier: | N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide |
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 | | SX8 | | Name: | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline | | Formula: | C18 H13 N7 S | | SMILES: | n3c(ccc4nnc(Sc2cc1cccnc1cc2)n34)c5cn(nc5)C | | InChi: | InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3 | | Definition date: | 2008-07-09 | | Last modified: | 2011-06-04 | | Identifier: | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline |
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 | | YYY | | Name: | DEOXYCYTIDINE DIPHOSPHATE | | Formula: | C9 H15 N3 O10 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2O | | InChi: | InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 | | Definition date: | 2006-08-31 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxycytidine 5'-(trihydrogen diphosphate) |
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 | | OGA | | Name: | N-OXALYLGLYCINE | | Formula: | C4 H5 N O5 | | SMILES: | O=C(O)C(=O)NCC(=O)O | | InChi: | InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10) | | Definition date: | 2002-08-12 | | Last modified: | 2011-06-04 | | Identifier: | N-(carboxycarbonyl)glycine |
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 | | RPF | | Name: | 1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-PHENYL}-6-(1,2,,3,4-TETRAHYDRO-QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-2-ONE | | Formula: | C31 H37 N3 O5 | | SMILES: | O=C5N(c2ccc(OCCCOCc1ccccc1OC)cc2)C(COc4ccc3c(NCCC3)c4)CNC5 | | InChi: | InChI=1S/C31H37N3O5/c1-36-30-8-3-2-6-24(30)21-37-16-5-17-38-27-13-10-25(11-14-27)34-26(19-32-20-31(34)35)22-39-28-12-9-23-7-4-15-33-29(23)18-28/h2-3,6,8-14,18,26,32-33H,4-5,7,15-17,19-22H2,1H3/t26-/m0/s1 | | Definition date: | 2005-02-18 | | Last modified: | 2011-06-04 | | Identifier: | (6S)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-[(1,2,3,4-tetrahydroquinolin-7-yloxy)methyl]piperazin-2-one |
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 | | XLI | | Name: | N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide | | Formula: | C27 H52 N4 O5 S | | SMILES: | O=C(NC(C(=O)NC(CC(C)C)C(O)CC(C(=O)NCCCC)C)CCSC)C(NC(=O)C)CC(C)C | | InChi: | InChI=1S/C27H52N4O5S/c1-9-10-12-28-25(34)19(6)16-24(33)22(14-17(2)3)31-26(35)21(11-13-37-8)30-27(36)23(15-18(4)5)29-20(7)32/h17-19,21-24,33H,9-16H2,1-8H3,(H,28,34)(H,29,32)(H,30,36)(H,31,35)/t19-,21+,22+,23+,24+/m1/s1 | | Definition date: | 2010-01-04 | | Last modified: | 2011-06-04 | | Identifier: | N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide |
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 | | PP2 | | Name: | 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE | | Formula: | C15 H17 Cl N5 | | SMILES: | Clc3ccc(c1[nH+]n(c2ncnc(c12)N)C(C)(C)C)cc3 | | InChi: | InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)/p+1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 4-amino-1-tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-2-ium |
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 | | N87 | | Name: | (1R,4R,5R)-1,4,5-trihydroxy-3-[3-(phenylcarbonyl)phenyl]cyclohex-2-ene-1-carboxylic acid | | Formula: | C20 H18 O6 | | SMILES: | O=C(O)C3(O)C=C(c2cccc(C(=O)c1ccccc1)c2)C(O)C(O)C3 | | InChi: | InChI=1S/C20H18O6/c21-16-11-20(26,19(24)25)10-15(18(16)23)13-7-4-8-14(9-13)17(22)12-5-2-1-3-6-12/h1-10,16,18,21,23,26H,11H2,(H,24,25)/t16-,18-,20+/m1/s1 | | Definition date: | 2010-06-03 | | Last modified: | 2011-06-04 | | Identifier: | (1R,4R,5R)-3-(3-benzoylphenyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid |
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 | | PP4 | | Name: | METHYL (2S)-[1-((N-FORMYL)-L-VALYL)AMINO-2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYL PROPANOATE | | Formula: | C28 H32 N2 O7 P | | SMILES: | O=CNC(C(=O)NC(Cc2cc1ccccc1cc2)P([O-])(=O)OC(C(=O)OC)Cc3ccccc3)C(C)C | | InChi: | InChI=1S/C28H33N2O7P/c1-19(2)26(29-18-31)27(32)30-25(17-21-13-14-22-11-7-8-12-23(22)15-21)38(34,35)37-24(28(33)36-3)16-20-9-5-4-6-10-20/h4-15,18-19,24-26H,16-17H2,1-3H3,(H,29,31)(H,30,32)(H,34,35)/p-1/t24-,25+,26-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-[(1R)-1-{[(1S)-1-benzyl-2-methoxy-2-oxoethoxy]phosphinato}-2-naphthalen-2-ylethyl]-N~2~-formyl-L-valinamide |
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 | | OGG | | Name: | 2-(2-CARBAMOYLMETHOXY-ETHOXY)-ACETAMIDE | | Formula: | C6 H12 N2 O4 | | SMILES: | O=C(N)COCCOCC(=O)N | | InChi: | InChI=1S/C6H12N2O4/c7-5(9)3-11-1-2-12-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10) | | Definition date: | 2004-02-02 | | Last modified: | 2011-06-04 | | Identifier: | 2,2'-[ethane-1,2-diylbis(oxy)]diacetamide |
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 | | N8C | | Name: | 1-nitrooctane | | Formula: | C8 H17 N O2 | | SMILES: | [O-][N+](=O)CCCCCCCC | | InChi: | InChI=1S/C8H17NO2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3 | | Definition date: | 2008-06-03 | | Last modified: | 2011-06-04 | | Identifier: | 1-nitrooctane |
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 | | AP | | Name: | N-1-AMINOPYRENE | | Formula: | C16 H11 N | | SMILES: | c4cc2ccc1ccc(N)c3c1c2c(cc3)c4 | | InChi: | InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | pyren-1-amine |
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 | | VDO | | Name: | [(1R,2R,3S,4S,5S)-2,3,4-TRIHYDROXY-5-{[(1S,4R,5S,6S)-4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}CYCLOHEXYL]METHYL DIHYDROGEN PHOSPHATE | | Formula: | C14 H26 N O11 P | | SMILES: | O=P(O)(O)OCC2C(O)C(O)C(O)C(NC1C=C(CO)C(O)C(O)C1O)C2 | | InChi: | InChI=1S/C14H26NO11P/c16-3-5-1-7(11(19)13(21)9(5)17)15-8-2-6(4-26-27(23,24)25)10(18)14(22)12(8)20/h1,6-22H,2-4H2,(H2,23,24,25)/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1 | | Definition date: | 2009-09-25 | | Last modified: | 2011-06-04 | | Identifier: | [(1R,2R,3S,4S,5S)-2,3,4-trihydroxy-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl]methyl dihydrogen phosphate |
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