 | | 6HB | | Name: | 2'-deoxy-N-[(2S)-2-hydroxybut-3-en-1-yl]adenosine 5'-(dihydrogen phosphate) | | Formula: | C14 H20 N5 O7 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NCC(O)/C=C)CC3O | | InChi: | InChI=1S/C14H20N5O7P/c1-2-8(20)4-15-13-12-14(17-6-16-13)19(7-18-12)11-3-9(21)10(26-11)5-25-27(22,23)24/h2,6-11,20-21H,1,3-5H2,(H,15,16,17)(H2,22,23,24)/t8-,9-,10+,11+/m0/s1 | | Definition date: | 2014-04-18 | | Last modified: | 2014-10-03 | | Release date: | 2014-10-08 | | Identifier: | 2'-deoxy-N-[(2S)-2-hydroxybut-3-en-1-yl]adenosine 5'-(dihydrogen phosphate) |
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 | | QBB | | Name: | 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide | | Formula: | C16 H15 F N2 O | | SMILES: | Fc1ccc(cc1)C(=O)Nc2ccc3c(c2)CNCC3 | | InChi: | InChI=1S/C16H15FN2O/c17-14-4-1-12(2-5-14)16(20)19-15-6-3-11-7-8-18-10-13(11)9-15/h1-6,9,18H,7-8,10H2,(H,19,20) | | Definition date: | 2014-05-21 | | Last modified: | 2014-10-03 | | Release date: | 2014-10-08 | | Identifier: | 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide |
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 | | 3KZ | | Name: | (1R)-9-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one | | Formula: | C24 H27 F N4 O2 | | SMILES: | Fc1ccccc1c4cc3OCC2=NNC(=O)C(N2c3cc4C5CCN(C)CC5C)C | | InChi: | InChI=1S/C24H27FN4O2/c1-14-12-28(3)9-8-16(14)18-10-21-22(11-19(18)17-6-4-5-7-20(17)25)31-13-23-26-27-24(30)15(2)29(21)23/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3,(H,27,30)/t14-,15-,16+/m1/s1 | | Definition date: | 2014-09-10 | | Last modified: | 2014-10-03 | | Release date: | 2014-10-08 | | Identifier: | (1R)-9-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one |
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 | | 3LZ | | Name: | 1-{3-[(2-ethylpyridin-3-yl)oxy]-5-(pyridin-2-ylsulfanyl)pyridin-2-yl}-3-methylurea | | Formula: | C19 H19 N5 O2 S | | SMILES: | O=C(NC)Nc3ncc(Sc1ncccc1)cc3Oc2cccnc2CC | | InChi: | InChI=1S/C19H19N5O2S/c1-3-14-15(7-6-10-21-14)26-16-11-13(27-17-8-4-5-9-22-17)12-23-18(16)24-19(25)20-2/h4-12H,3H2,1-2H3,(H2,20,23,24,25) | | Definition date: | 2014-09-22 | | Last modified: | 2014-10-03 | | Release date: | 2014-10-08 | | Identifier: | 1-{3-[(2-ethylpyridin-3-yl)oxy]-5-(pyridin-2-ylsulfanyl)pyridin-2-yl}-3-methylurea |
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 | | CN8 | | Name: | (4S)-N-ethyl-4-{[N-methyl-3-(1-{2-[(4-sulfanylbenzoyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)-L-alanyl]amino}-L-prolinamide | | Formula: | C22 H32 N8 O3 S | | SMILES: | O=C(NCC)C3NCC(NC(=O)C(NC)Cc1nnn(c1)CCNC(=O)c2ccc(S)cc2)C3 | | InChi: | InChI=1S/C22H32N8O3S/c1-3-24-21(32)19-10-15(12-26-19)27-22(33)18(23-2)11-16-13-30(29-28-16)9-8-25-20(31)14-4-6-17(34)7-5-14/h4-7,13,15,18-19,23,26,34H,3,8-12H2,1-2H3,(H,24,32)(H,25,31)(H,27,33)/t15-,18-,19-/m0/s1 | | Definition date: | 2014-02-04 | | Last modified: | 2014-10-03 | | Release date: | 2014-10-08 | | Identifier: | (4S)-N-ethyl-4-{[N-methyl-3-(1-{2-[(4-sulfanylbenzoyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)-L-alanyl]amino}-L-prolinamide |
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 | | 37J | | Name: | 2-{[2-(trifluoromethoxy)benzoyl]amino}-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide | | Formula: | C20 H11 F6 N5 O3 S | | SMILES: | O=C(Nc3nc(C(=O)Nc2nc1ccc(cc1n2)C(F)(F)F)cs3)c4ccccc4OC(F)(F)F | | InChi: | InChI=1S/C20H11F6N5O3S/c21-19(22,23)9-5-6-11-12(7-9)28-17(27-11)30-16(33)13-8-35-18(29-13)31-15(32)10-3-1-2-4-14(10)34-20(24,25)26/h1-8H,(H,29,31,32)(H2,27,28,30,33) | | Definition date: | 2014-07-01 | | Last modified: | 2014-10-03 | | Release date: | 2014-10-08 | | Identifier: | 2-{[2-(trifluoromethoxy)benzoyl]amino}-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide |
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 | | RKF | | Name: | (11,12-difluorodipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+) | | Formula: | C38 H20 F2 N12 Ru | | SMILES: | c1cc2c3c4c1N=CC=[N]4[Ru+2]56([N]3=CC=N2)([N]7=C8C(=CC=C7)c9c(nc1cc(c(cc1n9)F)F)C1=CC=C[N]5=C18)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]61 | | InChi: | InChI=1S/C18H8F2N4.2C10H6N4.Ru/c19-11-7-13-14(8-12(11)20)24-18-10-4-2-6-22-16(10)15-9(17(18)23-13)3-1-5-21-15 | | Definition date: | 2013-11-01 | | Last modified: | 2014-10-03 | | Release date: | 2014-10-08 | | Identifier: | (11,12-difluorodipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+) |
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 | | 3E4 | | Name: | N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide | | Formula: | C32 H31 Cl N6 O3 S | | SMILES: | Clc1ccccc1S(=O)(=O)Nc6c2c(cccc2)c(Oc5ncccc5c3nc(ncc3)NC4CCC(N)CC4)c(c6)C | | InChi: | InChI=1S/C32H31ClN6O3S/c1-20-19-28(39-43(40,41)29-11-5-4-10-26(29)33)23-7-2-3-8-24(23)30(20)42-31-25(9-6-17-35-31)27-16-18-36-32(38-27)37-22-14-12-21(34)13-15-22/h2-11,16-19,21-22,39H,12-15,34H2,1H3,(H,36,37,38)/t21-,22- | | Definition date: | 2014-07-31 | | Last modified: | 2014-10-03 | | Release date: | 2014-10-08 | | Identifier: | N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide |
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 | | 3EL | | Name: | N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide | | Formula: | C31 H30 N6 O3 S | | SMILES: | O=S(=O)(c1ccccc1)Nc6c2c(cccc2)c(Oc5ncccc5c3nc(ncc3)NC4CCC(N)CC4)cc6 | | InChi: | InChI=1S/C31H30N6O3S/c32-21-12-14-22(15-13-21)35-31-34-20-18-27(36-31)26-11-6-19-33-30(26)40-29-17-16-28(24-9-4-5-10-25(24)29)37-41(38,39)23-7-2-1-3-8-23/h1-11,16-22,37H,12-15,32H2,(H,34,35,36)/t21-,22- | | Definition date: | 2014-07-31 | | Last modified: | 2014-10-03 | | Release date: | 2014-10-08 | | Identifier: | N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide |
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 | | TJH | | Name: | 2-({2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl}amino)-5-hydroxynaphthalene-1,4-dione | | Formula: | C25 H22 Cl N3 O3 | | SMILES: | O=C1C=C(C(=O)c2cccc(O)c12)NCCNc3c5c(nc4c3CCCC4)cc(Cl)cc5 | | InChi: | InChI=1S/C25H22ClN3O3/c26-14-8-9-16-19(12-14)29-18-6-2-1-4-15(18)24(16)28-11-10-27-20-13-22(31)23-17(25(20)32)5-3-7-21(23)30/h3,5,7-9,12-13,27,30H,1-2,4,6,10-11H2,(H,28,29) | | Definition date: | 2014-06-30 | | Last modified: | 2014-10-03 | | Release date: | 2014-10-08 | | Identifier: | 2-({2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl}amino)-5-hydroxynaphthalene-1,4-dione |
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 | | 6Z7 | | Name: | 7-({4-[(3-hydroxy-5-methoxyphenyl)amino]benzoyl}amino)-1,2,3,4-tetrahydroisoquinolinium | | Formula: | C23 H24 N3 O3 | | SMILES: | O=C(c2ccc(Nc1cc(O)cc(OC)c1)cc2)Nc3ccc4c(c3)C[NH2+]CC4 | | InChi: | InChI=1S/C23H23N3O3/c1-29-22-12-20(11-21(27)13-22)25-18-5-3-16(4-6-18)23(28)26-19-7-2-15-8-9-24-14-17(15)10-19/h2-7,10-13,24-25,27H,8-9,14H2,1H3,(H,26,28)/p+1 | | Definition date: | 2014-05-13 | | Last modified: | 2014-10-03 | | Release date: | 2014-10-08 | | Identifier: | 7-({4-[(3-hydroxy-5-methoxyphenyl)amino]benzoyl}amino)-1,2,3,4-tetrahydroisoquinolinium |
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 | | DGR | | Name: | (E)-4-(2-Nicotinoylhydrazinyl)-4-oxobut-2-enoic acid | | Formula: | C10 H9 N3 O4 | | SMILES: | O=C(NNC(=O)C=CC(=O)O)c1cccnc1 | | InChi: | InChI=1S/C10H9N3O4/c14-8(3-4-9(15)16)12-13-10(17)7-2-1-5-11-6-7/h1-6H,(H,12,14)(H,13,17)(H,15,16)/b4-3+ | | Definition date: | 2014-04-09 | | Last modified: | 2014-10-03 | | Release date: | 2014-10-01 | | Identifier: | (2E)-4-oxo-4-[2-(pyridin-3-ylcarbonyl)hydrazinyl]but-2-enoic acid |
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 | | ESZ | | Name: | (14beta,16alpha,17alpha)-16-bromoestra-1,3,5(10)-triene-3,17-diol | | Formula: | C18 H23 Br O2 | | SMILES: | BrC4CC3C2C(c1ccc(O)cc1CC2)CCC3(C)C4O | | InChi: | InChI=1S/C18H23BrO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1 | | Definition date: | 2014-05-20 | | Last modified: | 2014-10-03 | | Release date: | 2014-10-08 | | Identifier: | (14beta,16alpha,17alpha)-16-bromoestra-1,3,5(10)-triene-3,17-diol |
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 | | IL3 | | Name: | 1-but-2-ynoxy-4-[(sulfamoylamino)methyl]benzene | | Formula: | C11 H14 N2 O3 S | | SMILES: | CC#CCOc1ccc(CN[S](N)(=O)=O)cc1 | | InChi: | InChI=1S/C11H14N2O3S/c1-2-3-8-16-11-6-4-10(5-7-11)9-13-17(12,14)15/h4-7,13H,8-9H2,1H3,(H2,12,14,15) | | Definition date: | 2014-03-03 | | Last modified: | 2014-10-03 | | Release date: | 2014-10-08 | | Identifier: | 1-but-2-ynoxy-4-[(sulfamoylamino)methyl]benzene |
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 | | YAU | | Name: | N-{2-chloro-5-[(3S,4R)-1-[(3R)-4-(4-chlorophenyl)-3-hydroxybutanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]phenyl}-2-(4-fluorophenyl)acetamide | | Formula: | C29 H29 Cl2 F N2 O4 | | SMILES: | O=C(N3CC(c2ccc(Cl)c(NC(=O)Cc1ccc(F)cc1)c2)C(CO)C3)CC(O)Cc4ccc(Cl)cc4 | | InChi: | InChI=1S/C29H29Cl2FN2O4/c30-22-6-1-18(2-7-22)11-24(36)14-29(38)34-15-21(17-35)25(16-34)20-5-10-26(31)27(13-20)33-28(37)12-19-3-8-23(32)9-4-19/h1-10,13,21,24-25,35-36H,11-12,14-17H2,(H,33,37)/t21-,24-,25-/m1/s1 | | Definition date: | 2014-04-14 | | Last modified: | 2014-09-26 | | Release date: | 2014-10-01 | | Identifier: | N-{2-chloro-5-[(3S,4R)-1-[(3R)-4-(4-chlorophenyl)-3-hydroxybutanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]phenyl}-2-(4-fluorophenyl)acetamide |
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 | | UEK | | Name: | N-{5-[(3S,4R)-1-[(3R)-3-amino-4-(4-chlorophenyl)butanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorophenyl}-2-(4-fluorophenyl)acetamide | | Formula: | C29 H30 Cl2 F N3 O3 | | SMILES: | O=C(N3CC(c2ccc(Cl)c(NC(=O)Cc1ccc(F)cc1)c2)C(CO)C3)CC(N)Cc4ccc(Cl)cc4 | | InChi: | InChI=1S/C29H30Cl2FN3O3/c30-22-6-1-18(2-7-22)11-24(33)14-29(38)35-15-21(17-36)25(16-35)20-5-10-26(31)27(13-20)34-28(37)12-19-3-8-23(32)9-4-19/h1-10,13,21,24-25,36H,11-12,14-17,33H2,(H,34,37)/t21-,24-,25-/m1/s1 | | Definition date: | 2014-04-14 | | Last modified: | 2014-09-26 | | Release date: | 2014-10-01 | | Identifier: | N-{5-[(3S,4R)-1-[(3R)-3-amino-4-(4-chlorophenyl)butanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorophenyl}-2-(4-fluorophenyl)acetamide |
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 | | 1PO | | Name: | N-{(1E,4R,5R,7E,9S,10S,11S)-4,10-dimethoxy-11-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxododeca-1,7-dien-1-yl}-N-methylformamide | | Formula: | C30 H45 N O7 | | SMILES: | O=CN(C=CCC(OC)C(C(=O)C=CC(C)C(OC)C(C1OC(OCC1C)c2ccc(OC)cc2)C)C)C | | InChi: | InChI=1S/C30H45NO7/c1-20(11-16-26(33)22(3)27(35-7)10-9-17-31(5)19-32)28(36-8)23(4)29-21(2)18-37-30(38-29)24-12-14-25(34-6)15-13-24/h9,11-17,19-23,27-30H,10,18H2,1-8H3/b16-11+,17-9+/t20-,21-,22-,23-,27+,28-,29-,30-/m0/s1 | | Definition date: | 2013-04-23 | | Last modified: | 2014-09-26 | | Release date: | 2014-10-01 | | Identifier: | N-{(1E,4R,5R,7E,9S,10S,11S)-4,10-dimethoxy-11-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxododeca-1,7-dien-1-yl}-N-methylformamide |
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 | | NWM | | Name: | (3R,4S,5R,6S,10R,11R,12R)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate | | Formula: | C32 H51 N O8 | | SMILES: | O=CN(C)CCC(C)C(OC(=O)C)C(C(=O)CCC(C)C(O)C(C)C(OC(=O)CC)CCOCc1ccccc1)C | | InChi: | InChI=1S/C32H51NO8/c1-8-30(37)41-29(17-19-39-20-27-12-10-9-11-13-27)25(5)31(38)22(2)14-15-28(36)24(4)32(40-26(6)35)23(3)16-18-33(7)21-34/h9-13,21-25,29,31-32,38H,8,14-20H2,1-7H3/t22-,23+,24-,25+,29+,31+,32+/m0/s1 | | Definition date: | 2013-04-23 | | Last modified: | 2014-09-26 | | Release date: | 2014-10-01 | | Identifier: | (3R,4S,5R,6S,10R,11R,12R)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate |
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 | | A6M | | Name: | (3R)-3-amino-4-(4-chlorophenyl)-1-[(3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one | | Formula: | C21 H24 Cl2 N2 O2 | | SMILES: | O=C(N2CC(c1ccc(Cl)cc1)C(CO)C2)CC(N)Cc3ccc(Cl)cc3 | | InChi: | InChI=1S/C21H24Cl2N2O2/c22-17-5-1-14(2-6-17)9-19(24)10-21(27)25-11-16(13-26)20(12-25)15-3-7-18(23)8-4-15/h1-8,16,19-20,26H,9-13,24H2/t16-,19+,20-/m0/s1 | | Definition date: | 2014-04-14 | | Last modified: | 2014-09-26 | | Release date: | 2014-10-01 | | Identifier: | (3R)-3-amino-4-(4-chlorophenyl)-1-[(3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one |
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 | | 3K1 | | Name: | 5-hydroxy-2-[4-(1H-tetrazol-5-yl)phenyl]pyrimidin-4(3H)-one | | Formula: | C11 H8 N6 O2 | | SMILES: | O=C3C(O)=CN=C(c2ccc(c1nnnn1)cc2)N3 | | InChi: | InChI=1S/C11H8N6O2/c18-8-5-12-9(13-11(8)19)6-1-3-7(4-2-6)10-14-16-17-15-10/h1-5,18H,(H,12,13,19)(H,14,15,16,17) | | Definition date: | 2014-08-28 | | Last modified: | 2014-09-26 | | Release date: | 2014-10-01 | | Identifier: | 5-hydroxy-2-[4-(1H-tetrazol-5-yl)phenyl]pyrimidin-4(3H)-one |
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 | | 37B | | Name: | (2S)-3-[(S)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid | | Formula: | C19 H24 N O4 P | | SMILES: | O=C(O)C(CP(=O)(O)C(N)CCc1ccccc1)Cc2ccccc2 | | InChi: | InChI=1S/C19H24NO4P/c20-18(12-11-15-7-3-1-4-8-15)25(23,24)14-17(19(21)22)13-16-9-5-2-6-10-16/h1-10,17-18H,11-14,20H2,(H,21,22)(H,23,24)/t17-,18-/m1/s1 | | Definition date: | 2014-06-27 | | Last modified: | 2014-09-26 | | Release date: | 2014-10-01 | | Identifier: | (2S)-3-[(S)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid |
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 | | 3BW | | Name: | 4-({[4-(4-chlorophenoxy)phenyl]sulfanyl}methyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide | | Formula: | C19 H20 Cl N O4 S | | SMILES: | Clc3ccc(Oc2ccc(SCC1(C(=O)NO)CCOCC1)cc2)cc3 | | InChi: | InChI=1S/C19H20ClNO4S/c20-14-1-3-15(4-2-14)25-16-5-7-17(8-6-16)26-13-19(18(22)21-23)9-11-24-12-10-19/h1-8,23H,9-13H2,(H,21,22) | | Definition date: | 2014-07-21 | | Last modified: | 2014-09-26 | | Release date: | 2014-10-01 | | Identifier: | 4-({[4-(4-chlorophenoxy)phenyl]sulfanyl}methyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide |
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 | | 3BX | | Name: | N-hydroxy-4-[(4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}phenoxy)methyl]tetrahydro-2H-pyran-4-carboxamide | | Formula: | C26 H30 N2 O5 | | SMILES: | O=C(NO)C1(CCOCC1)COc4ccc(C#Cc2ccc(cc2)CN3CCOCC3)cc4 | | InChi: | InChI=1S/C26H30N2O5/c29-25(27-30)26(11-15-31-16-12-26)20-33-24-9-7-22(8-10-24)2-1-21-3-5-23(6-4-21)19-28-13-17-32-18-14-28/h3-10,30H,11-20H2,(H,27,29) | | Definition date: | 2014-07-21 | | Last modified: | 2014-09-26 | | Release date: | 2014-10-01 | | Identifier: | N-hydroxy-4-[(4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}phenoxy)methyl]tetrahydro-2H-pyran-4-carboxamide |
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 | | RRM | | Name: | (2E,4S,5S,6E,8E)-10-{(2R,3S,6S,8R,9S)-9-butyl-8-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid | | Formula: | C32 H48 O7 | | SMILES: | O=C(O)C=CC(C)C(O)/C=C/C(=C/CC2OC1(OC(C=CC(=CC(=O)O)C)C(CC1)CCCC)CCC2C)C | | InChi: | InChI=1S/C32H48O7/c1-6-7-8-26-18-20-32(39-29(26)15-11-23(3)21-31(36)37)19-17-25(5)28(38-32)14-10-22(2)9-13-27(33)24(4)12-16-30(34)35/h9-13,15-16,21,24-29,33H,6-8,14,17-20H2,1-5H3,(H,34,35)(H,36,37)/b13-9+,15-11+,16-12+,22-10+,23-21+/t24-,25-,26-,27-,28+,29-,32-/m0/s1 | | Definition date: | 2014-06-13 | | Last modified: | 2014-09-26 | | Release date: | 2014-10-01 | | Identifier: | (2E,4S,5S,6E,8E)-10-{(2R,3S,6S,8R,9S)-9-butyl-8-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid |
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 | | 2KK | | Name: | N~6~-(4-fluorobenzoyl)-L-lysine | | Formula: | C13 H17 F N2 O3 | | SMILES: | O=C(c1ccc(F)cc1)NCCCCC(C(=O)O)N | | InChi: | InChI=1S/C13H17FN2O3/c14-10-6-4-9(5-7-10)12(17)16-8-2-1-3-11(15)13(18)19/h4-7,11H,1-3,8,15H2,(H,16,17)(H,18,19)/t11-/m0/s1 | | Definition date: | 2013-11-21 | | Last modified: | 2014-09-26 | | Release date: | 2014-10-01 | | Identifier: | N~6~-(4-fluorobenzoyl)-L-lysine |
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