 | | OFH | | 表記: | (4R)-4-[(2-chloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide | | 組成式: | C23 H24 Cl F6 N3 O5 S | | SMILES: | O=S(=O)(c1ccc(OC(C)C(F)(F)F)cc1Cl)C4CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C3(C(F)(F)F)CC3)C4 | | InChi: | InChI=1S/C23H24ClF6N3O5S/c1-12(22(25,26)27)38-13-2-3-17(15(24)8-13)39(36,37)14-9-16(18(34)32-20(11-31)4-5-20)33(10-14)19(35)21(6-7-21)23(28,29)30/h2-3,8,11-12,14,16,31H,4-7,9-10H2,1H3,(H,32,34)/b31-11+/t12-,14+,16-/m0/s1 | | 定義日: | 2013-05-28 | | 最終更新日: | 2014-06-06 | | 公開日: | 2014-06-11 | | 識別子（ID）: | (4R)-4-[(2-chloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide |
|
 | | 2SQ | | 表記: | (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid | | 組成式: | C26 H28 F N O5 | | SMILES: | O=C(O)C(OC(C)(C)C)C=4N(C(=O)c1ccccc1C=4c3cc(F)c2OCCCc2c3C)C | | InChi: | InChI=1S/C26H28FNO5/c1-14-15-11-8-12-32-22(15)19(27)13-18(14)20-16-9-6-7-10-17(16)24(29)28(5)21(20)23(25(30)31)33-26(2,3)4/h6-7,9-10,13,23H,8,11-12H2,1-5H3,(H,30,31)/t23-/m0/s1 | | 定義日: | 2014-01-24 | | 最終更新日: | 2014-06-06 | | 公開日: | 2014-06-11 | | 識別子（ID）: | (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid |
|
 | | ZHK | | 表記: | (2R)-2-{[5-cyano-4-(3,4-dichlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide | | 組成式: | C20 H15 Cl2 N5 O4 S2 | | SMILES: | N#CC2=C(N=C(SC(C(=O)Nc1ccc(cc1)S(=O)(=O)N)C)NC2=O)c3ccc(Cl)c(Cl)c3 | | InChi: | InChI=1S/C20H15Cl2N5O4S2/c1-10(18(28)25-12-3-5-13(6-4-12)33(24,30)31)32-20-26-17(14(9-23)19(29)27-20)11-2-7-15(21)16(22)8-11/h2-8,10H,1H3,(H,25,28)(H2,24,30,31)(H,26,27,29)/t10-/m1/s1 | | 定義日: | 2013-04-05 | | 最終更新日: | 2014-05-29 | | 公開日: | 2013-05-22 | | 識別子（ID）: | (2R)-2-{[5-cyano-4-(3,4-dichlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide |
|
 | | SNF | | 表記: | (N1E, N2E)-N1, N2-bis(pyridine-2-ylmethylene)propane-1,2-diamine, nickel(II) salt | | 組成式: | C15 H16 N4 Ni | | SMILES: | c5n2c(C=N3CC(N4=Cc1ccccn1[Ni]234)C)ccc5 | | InChi: | InChI=1S/C15H16N4.Ni/c1-13(19-12-15-7-3-5-9-18-15)10-16-11-14-6-2-4-8-17-14 | | 定義日: | 2013-06-12 | | 最終更新日: | 2014-05-23 | | 公開日: | 2014-05-28 | | 識別子（ID）: | {N,N'-propane-1,2-diylbis[1-(pyridin-2-yl-kappaN)methanimine-kappaN]}nickel |
|
 | | 3NZ | | 表記: | 3'-deoxy-3'-[(O-methyl-L-tyrosyl)amino]adenosine | | 組成式: | C20 H25 N7 O5 | | SMILES: | O=C(NC3C(OC(n2cnc1c(ncnc12)N)C3O)CO)C(N)Cc4ccc(OC)cc4 | | InChi: | InChI=1S/C20H25N7O5/c1-31-11-4-2-10(3-5-11)6-12(21)19(30)26-14-13(7-28)32-20(16(14)29)27-9-25-15-17(22)23-8-24-18(15)27/h2-5,8-9,12-14,16,20,28-29H,6-7,21H2,1H3,(H,26,30)(H2,22,23,24)/t12-,13+,14+,16+,20+/m0/s1 | | 定義日: | 2014-05-14 | | 最終更新日: | 2014-05-23 | | 公開日: | 2014-05-28 | | 識別子（ID）: | 3'-deoxy-3'-[(O-methyl-L-tyrosyl)amino]adenosine |
|
 | | ZB6 | | 表記: | (2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid | | 組成式: | C10 H17 N O3 S | | SMILES: | O=C(N1C(C(=O)O)CCCC1C)CCS | | InChi: | InChI=1S/C10H17NO3S/c1-7-3-2-4-8(10(13)14)11(7)9(12)5-6-15/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-,8-/m1/s1 | | 定義日: | 2013-06-05 | | 最終更新日: | 2014-05-16 | | 公開日: | 2014-05-21 | | 識別子（ID）: | (2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid |
|
 | | 2YP | | 表記: | (2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoic acid | | 組成式: | C19 H30 N2 O12 | | SMILES: | O=C(O)C(OC3C(OC1OC(CO)C(O)C(O)C1NC(=O)C)C2OC(OC2)C3NC(=O)C)C | | InChi: | InChI=1S/C19H30N2O12/c1-6(17(27)28)30-16-12(21-8(3)24)18-29-5-10(32-18)15(16)33-19-11(20-7(2)23)14(26)13(25)9(4-22)31-19/h6,9-16,18-19,22,25-26H,4-5H2,1-3H3,(H,20,23)(H,21,24)(H,27,28)/t6-,9-,10-,11-,12-,13-,14-,15-,16-,18-,19+/m1/s1 | | 定義日: | 2014-04-24 | | 最終更新日: | 2014-05-16 | | 公開日: | 2014-05-21 | | 識別子（ID）: | (2R)-2-{[(1R,2S,3R,4R,5R)-4-(acetylamino)-2-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoic acid (non-preferred name) |
|
 | | 2QN | | 表記: | N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine | | 組成式: | C22 H25 I N4 O6 | | SMILES: | Ic1ccc(cc1)C(=O)NCCCCC(C(=O)O)NC(=O)NC(C(=O)O)Cc2ccncc2 | | InChi: | InChI=1S/C22H25IN4O6/c23-16-6-4-15(5-7-16)19(28)25-10-2-1-3-17(20(29)30)26-22(33)27-18(21(31)32)13-14-8-11-24-12-9-14/h4-9,11-12,17-18H,1-3,10,13H2,(H,25,28)(H,29,30)(H,31,32)(H2,26,27,33)/t17-,18-/m0/s1 | | 定義日: | 2014-01-09 | | 最終更新日: | 2014-05-16 | | 公開日: | 2014-05-21 | | 識別子（ID）: | N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine |
|
 | | 2QP | | 表記: | N~2~-{[(1S)-1-carboxy-2-(furan-2-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine | | 組成式: | C21 H24 I N3 O7 | | SMILES: | Ic1ccc(cc1)C(=O)NCCCCC(C(=O)O)NC(=O)NC(C(=O)O)Cc2occc2 | | InChi: | InChI=1S/C21H24IN3O7/c22-14-8-6-13(7-9-14)18(26)23-10-2-1-5-16(19(27)28)24-21(31)25-17(20(29)30)12-15-4-3-11-32-15/h3-4,6-9,11,16-17H,1-2,5,10,12H2,(H,23,26)(H,27,28)(H,29,30)(H2,24,25,31)/t16-,17-/m0/s1 | | 定義日: | 2014-01-09 | | 最終更新日: | 2014-05-16 | | 公開日: | 2014-05-21 | | 識別子（ID）: | N~2~-{[(1S)-1-carboxy-2-(furan-2-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine |
|
 | | 2QS | | 表記: | (2S)-2-[({(1S)-1-carboxy-2-[(2S)-oxiran-2-yl]ethyl}carbamoyl)amino]-6-[(4-iodobenzoyl)amino]hexanoic acid (non-preferred name) | | 組成式: | C19 H24 I N3 O7 | | SMILES: | O=C(NC(C(=O)O)CC1OC1)NC(C(=O)O)CCCCNC(=O)c2ccc(I)cc2 | | InChi: | InChI=1S/C19H24IN3O7/c20-12-6-4-11(5-7-12)16(24)21-8-2-1-3-14(17(25)26)22-19(29)23-15(18(27)28)9-13-10-30-13/h4-7,13-15H,1-3,8-10H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t13-,14-,15-/m0/s1 | | 定義日: | 2014-01-09 | | 最終更新日: | 2014-05-16 | | 公開日: | 2014-05-21 | | 識別子（ID）: | (2S)-2-[({(1S)-1-carboxy-2-[(2S)-oxiran-2-yl]ethyl}carbamoyl)amino]-6-[(4-iodobenzoyl)amino]hexanoic acid (non-preferred name) |
|
 | | 2R7 | | 表記: | N~2~-[(1-carboxycyclopropyl)carbamoyl]-N~6~-(4-iodobenzoyl)-L-lysine | | 組成式: | C18 H22 I N3 O6 | | SMILES: | O=C(NC(C(=O)O)CCCCNC(=O)c1ccc(I)cc1)NC2(C(=O)O)CC2 | | InChi: | InChI=1S/C18H22IN3O6/c19-12-6-4-11(5-7-12)14(23)20-10-2-1-3-13(15(24)25)21-17(28)22-18(8-9-18)16(26)27/h4-7,13H,1-3,8-10H2,(H,20,23)(H,24,25)(H,26,27)(H2,21,22,28)/t13-/m0/s1 | | 定義日: | 2014-01-10 | | 最終更新日: | 2014-05-16 | | 公開日: | 2014-05-21 | | 識別子（ID）: | N~2~-[(1-carboxycyclopropyl)carbamoyl]-N~6~-(4-iodobenzoyl)-L-lysine |
|
 | | NZ2 | | 表記: | N-(methylsulfonyl)-N-phenyl-L-alanine | | 組成式: | C10 H13 N O4 S | | SMILES: | O=S(=O)(N(c1ccccc1)C(C(=O)O)C)C | | InChi: | InChI=1S/C10H13NO4S/c1-8(10(12)13)11(16(2,14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)/t8-/m0/s1 | | 定義日: | 2013-06-05 | | 最終更新日: | 2014-05-16 | | 公開日: | 2014-05-21 | | 識別子（ID）: | N-(methylsulfonyl)-N-phenyl-L-alanine |
|
 | | NZ3 | | 表記: | N-(methylsulfonyl)-N-phenyl-D-alanine | | 組成式: | C10 H13 N O4 S | | SMILES: | O=S(=O)(N(c1ccccc1)C(C(=O)O)C)C | | InChi: | InChI=1S/C10H13NO4S/c1-8(10(12)13)11(16(2,14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)/t8-/m1/s1 | | 定義日: | 2013-06-05 | | 最終更新日: | 2014-05-16 | | 公開日: | 2014-05-21 | | 識別子（ID）: | N-(methylsulfonyl)-N-phenyl-D-alanine |
|
 | | NM3 | | 表記: | ethyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium | | 組成式: | C8 H18 N O2 | | SMILES: | O=C(O)CCC[N+](C)(C)CC | | InChi: | InChI=1S/C8H17NO2/c1-4-9(2,3)7-5-6-8(10)11/h4-7H2,1-3H3/p+1 | | 定義日: | 2013-09-16 | | 最終更新日: | 2014-05-12 | | 公開日: | 2014-03-12 | | 識別子（ID）: | 3-carboxy-N-ethyl-N,N-dimethylpropan-1-aminium |
|
 | | GT6 | | 表記: | (2S,2'S)-N,N'-[(6,6'-difluoro-1H,1'H-2,2'-biindole-3,3'-diyl)bis{methanediyl[(2R,4S)-4-hydroxypyrrolidine-2,1-diyl][(2S)-1-oxobutane-1,2-diyl]}]bis[2-(methylamino)propanamide] | | 組成式: | C42 H56 F2 N8 O6 | | SMILES: | O=C(N6C(Cc5c1ccc(F)cc1nc5c3c(c2ccc(F)cc2n3)CC4N(C(=O)C(NC(=O)C(NC)C)CC)CC(O)C4)CC(O)C6)C(NC(=O)C(NC)C)CC | | InChi: | InChI=1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34-/m0/s1 | | 定義日: | 2013-05-22 | | 最終更新日: | 2014-05-09 | | 公開日: | 2014-05-14 | | 識別子（ID）: | (2S,2'S)-N,N'-[(6,6'-difluoro-1H,1'H-2,2'-biindole-3,3'-diyl)bis{methanediyl[(2R,4S)-4-hydroxypyrrolidine-2,1-diyl][(2S)-1-oxobutane-1,2-diyl]}]bis[2-(methylamino)propanamide] (non-preferred name) |
|
 | | 436 | | 表記: | (2S)-N-{(2R)-1-[(2R,4S)-2-{[6,6'-difluoro-3'-({(2R,4S)-4-hydroxy-1-[(2S)-2-{[(2S)-2-(methylamino)propanoyl]amino}butanoyl]pyrrolidin-2-yl}methyl)-1H,1'H-2,2'-biindol-3-yl]methyl}-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl}-2-(methylamino)propanamide | | 組成式: | C42 H56 F2 N8 O6 | | SMILES: | O=C(N6C(Cc5c1ccc(F)cc1nc5c3c(c2ccc(F)cc2n3)CC4N(C(=O)C(NC(=O)C(NC)C)CC)CC(O)C4)CC(O)C6)C(NC(=O)C(NC)C)CC | | InChi: | InChI=1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34+/m0/s1 | | 定義日: | 2013-05-22 | | 最終更新日: | 2014-05-09 | | 公開日: | 2014-05-14 | | 識別子（ID）: | (2S)-N-{(2R)-1-[(2R,4S)-2-{[6,6'-difluoro-3'-({(2R,4S)-4-hydroxy-1-[(2S)-2-{[(2S)-2-(methylamino)propanoyl]amino}butanoyl]pyrrolidin-2-yl}methyl)-1H,1'H-2,2'-biindol-3-yl]methyl}-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl}-2-(methylamino)propanamide (non-preferred name) |
|
 | | K08 | | 表記: | 5-(2-{(1Z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole | | 組成式: | C23 H24 N4 | | SMILES: | n1nnnc1CCC3=C(C(=Cc2ccc(cc2)C(C)C)c4ccccc34)C | | InChi: | InChI=1S/C23H24N4/c1-15(2)18-10-8-17(9-11-18)14-22-16(3)19(12-13-23-24-26-27-25-23)20-6-4-5-7-21(20)22/h4-11,14-15H,12-13H2,1-3H3,(H,24,25,26,27)/b22-14- | | 定義日: | 2013-11-06 | | 最終更新日: | 2014-05-09 | | 公開日: | 2014-05-14 | | 識別子（ID）: | 5-(2-{(1Z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole |
|
 | | K09 | | 表記: | 5-(2-{(1Z)-5-fluoro-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole | | 組成式: | C23 H23 F N4 | | SMILES: | Fc4ccc2c(C(=C(C2=Cc1ccc(cc1)C(C)C)C)CCc3nnnn3)c4 | | InChi: | InChI=1S/C23H23FN4/c1-14(2)17-6-4-16(5-7-17)12-21-15(3)19(10-11-23-25-27-28-26-23)22-13-18(24)8-9-20(21)22/h4-9,12-14H,10-11H2,1-3H3,(H,25,26,27,28)/b21-12- | | 定義日: | 2013-10-17 | | 最終更新日: | 2014-05-09 | | 公開日: | 2014-05-14 | | 識別子（ID）: | 5-(2-{(1Z)-5-fluoro-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole |
|
 | | 2WA | | 表記: | (1S,8E)-1-{[(2S)-1-hydroxy-3-{[(1S)-1-hydroxypentadecyl]oxy}propan-2-yl]oxy}heptadec-8-en-1-ol | | 組成式: | C35 H70 O5 | | SMILES: | OC(OC(COC(O)CCCCCCCCCCCCCC)CO)CCCCCC/C=C/CCCCCCCC | | InChi: | InChI=1S/C35H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,33-38H,3-16,19-32H2,1-2H3/b18-17+/t33-,34-,35-/m0/s1 | | 定義日: | 2014-01-29 | | 最終更新日: | 2014-05-09 | | 公開日: | 2014-05-14 | | 識別子（ID）: | (1S,8E)-1-{[(2S)-1-hydroxy-3-{[(1S)-1-hydroxypentadecyl]oxy}propan-2-yl]oxy}heptadec-8-en-1-ol |
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 | | 2WM | | 表記: | (1S,8E)-1-{[(2S)-3-hydroxy-2-{[(1S)-1-hydroxyoctadecyl]oxy}propyl]oxy}octadec-8-en-1-ol | | 組成式: | C39 H78 O5 | | SMILES: | OC(OC(COC(O)CCCCCC/C=C/CCCCCCCCC)CO)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C39H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,37-42H,3-18,20,22-36H2,1-2H3/b21-19+/t37-,38-,39-/m0/s1 | | 定義日: | 2014-01-29 | | 最終更新日: | 2014-05-09 | | 公開日: | 2014-05-14 | | 識別子（ID）: | (1S,8E)-1-{[(2S)-3-hydroxy-2-{[(1S)-1-hydroxyoctadecyl]oxy}propyl]oxy}octadec-8-en-1-ol |
|
 | | 2ZC | | 表記: | O-{[4-(2-aminoethyl)phenyl]sulfonyl}-L-serine | | 組成式: | C11 H16 N2 O5 S | | SMILES: | O=C(O)C(N)COS(=O)(=O)c1ccc(cc1)CCN | | InChi: | InChI=1S/C11H16N2O5S/c12-6-5-8-1-3-9(4-2-8)19(16,17)18-7-10(13)11(14)15/h1-4,10H,5-7,12-13H2,(H,14,15)/t10-/m0/s1 | | 定義日: | 2014-05-01 | | 最終更新日: | 2014-05-09 | | 公開日: | 2014-05-14 | | 識別子（ID）: | O-{[4-(2-aminoethyl)phenyl]sulfonyl}-L-serine |
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 | | 3WM | | 表記: | (1S,8E,1'R,8'Z)-1,1'-{[(2S)-3-hydroxypropane-1,2-diyl]bis(oxy)}bisoctadec-8-en-1-ol | | 組成式: | C39 H76 O5 | | SMILES: | OC(OC(COC(O)CCCCCCC=C/CCCCCCCCC)CO)CCCCCC/C=C/CCCCCCCCC | | InChi: | InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19-22,37-42H,3-18,23-36H2,1-2H3/b21-19-,22-20+/t37-,38+,39-/m0/s1 | | 定義日: | 2014-01-29 | | 最終更新日: | 2014-05-09 | | 公開日: | 2014-05-14 | | 識別子（ID）: | (1S,8E,1'R,8'Z)-1,1'-{[(2S)-3-hydroxypropane-1,2-diyl]bis(oxy)}bisoctadec-8-en-1-ol |
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 | | 6DH | | 表記: | 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol | | 組成式: | C11 H11 F3 N2 O | | SMILES: | FC(F)(F)c1ccc2nc(nc2c1)CCCO | | InChi: | InChI=1S/C11H11F3N2O/c12-11(13,14)7-3-4-8-9(6-7)16-10(15-8)2-1-5-17/h3-4,6,17H,1-2,5H2,(H,15,16) | | 定義日: | 2013-12-13 | | 最終更新日: | 2014-05-09 | | 公開日: | 2014-05-14 | | 識別子（ID）: | 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol |
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 | | CSE | | 表記: | SELENOCYSTEINE | | 組成式: | C3 H7 N O2 Se | | SMILES: | O=C(O)C(N)C[SeH] | | InChi: | InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2014-05-06 | | 識別子（ID）: | 3-selanyl-L-alanine |
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 | | S42 | | 表記: | 6-[(2R)-3-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}propyl]-4-methylpyridin-2-amine | | 組成式: | C23 H29 N5 | | SMILES: | n1c(N)cc(cc1CCc2cccc(c2)C(Cc3nc(N)cc(c3)C)CN)C | | InChi: | InChI=1S/C23H29N5/c1-15-8-20(27-22(25)10-15)7-6-17-4-3-5-18(12-17)19(14-24)13-21-9-16(2)11-23(26)28-21/h3-5,8-12,19H,6-7,13-14,24H2,1-2H3,(H2,25,27)(H2,26,28)/t19-/m0/s1 | | 定義日: | 2014-03-17 | | 最終更新日: | 2014-05-02 | | 公開日: | 2014-05-07 | | 識別子（ID）: | 6-[(2R)-3-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}propyl]-4-methylpyridin-2-amine |
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