 | | SM1 | | 表記: | N-(BENZYLSULFONYL)-D-SERYL-N-(4-{[AMINO(IMINO)METHYL]AMINO}BENZYL)-L-ALANINAMIDE | | 組成式: | C21 H28 N6 O5 S | | SMILES: | O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(NC(=[N@H])N)cc1)C)CO)Cc2ccccc2 | | InChi: | InChI=1S/C21H28N6O5S/c1-14(19(29)24-11-15-7-9-17(10-8-15)26-21(22)23)25-20(30)18(12-28)27-33(31,32)13-16-5-3-2-4-6-16/h2-10,14,18,27-28H,11-13H2,1H3,(H,24,29)(H,25,30)(H4,22,23,26)/t14-,18+/m0/s1 | | 定義日: | 2004-06-15 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | N-(benzylsulfonyl)-D-seryl-N-(4-carbamimidamidobenzyl)-L-alaninamide |
|
 | | BIB | | 表記: | BETA-AMINO ISOBUTYRATE | | 組成式: | C4 H8 N O2 | | SMILES: | [O-]C(=O)C(C)CN | | InChi: | InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/p-1/t3-/m0/s1 | | 定義日: | 2003-10-17 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (2S)-3-amino-2-methylpropanoate |
|
 | | SMG | | 表記: | N-SUCCINYL METHIONINE | | 組成式: | C9 H15 N O5 S | | SMILES: | O=C(NC(C(=O)O)CCSC)CCC(=O)O | | InChi: | InChI=1S/C9H15NO5S/c1-16-5-4-6(9(14)15)10-7(11)2-3-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t6-/m1/s1 | | 定義日: | 2004-03-04 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | N-(3-carboxypropanoyl)-D-methionine |
|
 | | BII | | 表記: | 2-{[5-CHLORO-2-({(1E,4R)-2-METHOXY-4-[(3R)-3-(METHYLAMINO)PYRROLIDIN-1-YL]CYCLOHEXA-2,5-DIEN-1-YLIDENE}AMINO)PYRIMIDIN-4-YL]AMINO}-N-(1-METHYLETHYL)BENZENESULFONAMIDE | | 組成式: | C25 H32 Cl N7 O3 S | | SMILES: | O=S(=O)(NC(C)C)c1ccccc1Nc2nc(ncc2Cl)/N=C3/C(OC)=CC(C=C3)N4CCC(NC)C4 | | InChi: | InChI=1S/C25H32ClN7O3S/c1-16(2)32-37(34,35)23-8-6-5-7-21(23)29-24-19(26)14-28-25(31-24)30-20-10-9-18(13-22(20)36-4)33-12-11-17(15-33)27-3/h5-10,13-14,16-18,27,32H,11-12,15H2,1-4H3,(H,28,29,31)/b30-20+/t17-,18?/m1/s1 | | 定義日: | 2008-08-28 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 2-{[5-chloro-2-({(1E,4R)-2-methoxy-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]cyclohexa-2,5-dien-1-ylidene}amino)pyrimidin-4-yl]amino}-N-(1-methylethyl)benzenesulfonamide |
|
 | | BIN | | 表記: | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-1-ETHYL-5-ISOPROPOXYCARBONYL-6-METHYL-PYRIDINIUM | | 組成式: | C20 H21 Cl N O6 | | SMILES: | O=C(OC(C)C)c1c(c(c([n+](c1C)CC)C(=O)O)C(=O)O)c2ccccc2Cl | | InChi: | InChI=1S/C20H20ClNO6/c1-5-22-11(4)14(20(27)28-10(2)3)15(12-8-6-7-9-13(12)21)16(18(23)24)17(22)19(25)26/h6-10H,5H2,1-4H3,(H-,23,24,25,26)/p+1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 2,3-dicarboxy-4-(2-chlorophenyl)-1-ethyl-6-methyl-5-[(1-methylethoxy)carbonyl]pyridinium |
|
 | | BIP | | 表記: | 2-BENZYL-3-IODOPROPANOIC ACID | | 組成式: | C10 H11 I O2 | | SMILES: | O=C(O)C(CI)Cc1ccccc1 | | InChi: | InChI=1S/C10H11IO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (2R)-2-benzyl-3-iodopropanoic acid |
|
 | | BIR | | 表記: | N-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE | | 組成式: | C21 H27 N2 O5 P | | SMILES: | O=C(O)C(NC(=O)C(CP(=O)(O)C(N)C)Cc1ccc(cc1)c2ccccc2)C | | InChi: | InChI=1S/C21H27N2O5P/c1-14(21(25)26)23-20(24)19(13-29(27,28)15(2)22)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,19H,12-13,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t14-,15+,19+/m0/s1 | | 定義日: | 2003-11-06 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | N-[(2S)-3-[(S)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]-2-(biphenyl-4-ylmethyl)propanoyl]-L-alanine |
|
 | | SMY | | 表記: | (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine | | 組成式: | C22 H26 N6 O S | | SMILES: | O=C(N3CCN(c1ncnc2c1C(SC2)C)CC3)C(N)Cc5c4ccccc4nc5 | | InChi: | InChI=1S/C22H26N6OS/c1-14-20-19(12-30-14)25-13-26-21(20)27-6-8-28(9-7-27)22(29)17(23)10-15-11-24-18-5-3-2-4-16(15)18/h2-5,11,13-14,17,24H,6-10,12,23H2,1H3/t14-,17+/m0/s1 | | 定義日: | 2010-09-20 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (2R)-2-amino-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one |
|
 | | SN0 | | 表記: | N-(3-CARBOXYPROPANOYL)-L-NORVALINE | | 組成式: | C9 H15 N O5 | | SMILES: | O=C(NC(C(=O)O)CCC)CCC(=O)O | | InChi: | InChI=1S/C9H15NO5/c1-2-3-6(9(14)15)10-7(11)4-5-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1 | | 定義日: | 2006-01-16 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | N-(3-carboxypropanoyl)-L-norvaline |
|
 | | SNA | | 表記: | N-{1-[5-(1-CARBAMOYL-2-MERCAPTO-ETHYLCARBAMOYL)-PENTYLCARBAMOYL]-2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ETHYL}-3-{2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ACETYLAMINO}-SUCCINAMIC ACID | | 組成式: | C32 H41 F4 N5 O13 P2 S | | SMILES: | FC(F)(c1ccc(cc1)CC(=O)NC(C(=O)NC(C(=O)NCCCCCC(=O)NC(C(=O)N)CS)Cc2ccc(cc2)C(F)(F)P(=O)(O)O)CC(=O)O)P(=O)(O)O | | InChi: | InChI=1S/C32H41F4N5O13P2S/c33-31(34,55(49,50)51)20-9-5-18(6-10-20)14-22(29(47)38-13-3-1-2-4-25(42)40-24(17-57)28(37)46)41-30(48)23(16-27(44)45)39-26(43)15-19-7-11-21(12-8-19)32(35,36)56(52,53)54/h5-12,22-24,57H,1-4,13-17H2,(H2,37,46)(H,38,47)(H,39,43)(H,40,42)(H,41,48)(H,44,45)(H2,49,50,51)(H2,52,53,54)/t22-,23?,24?/m0/s1 | | 定義日: | 2002-11-20 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | N-({4-[difluoro(phosphono)methyl]phenyl}acetyl)-L-alpha-aspartyl-N-(6-{[2-amino-2-oxo-1-(sulfanylmethyl)ethyl]amino}-6-oxohexyl)-4-[difluoro(phosphono)methyl]-L-phenylalaninamide |
|
 | | SOO | | 表記: | S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (E)-oct-2-enethioate | | 組成式: | C19 H35 N2 O8 P S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)/C=C/CCCCC | | InChi: | InChI=1S/C19H35N2O8PS/c1-4-5-6-7-8-9-16(23)31-13-12-20-15(22)10-11-21-18(25)17(24)19(2,3)14-29-30(26,27)28/h8-9,17,24H,4-7,10-14H2,1-3H3,(H,20,22)(H,21,25)(H2,26,27,28)/b9-8+/t17-/m1/s1 | | 定義日: | 2009-10-15 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (2E)-oct-2-enethioate |
|
 | | BLA | | 表記: | BILIVERDINE IX ALPHA | | 組成式: | C33 H34 N4 O6 | | SMILES: | Cc1c([nH]c(C=C2N=C(C=C3NC(=O)C(=C3C=C)C)C(=C2CCC(O)=O)C)c1CCC(O)=O)C=C4NC(=O)C(=C4C)C=C | | InChi: | InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15- | | 定義日: | 1999-07-08 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 3-{2-((Z)-{3-(2-carboxyethyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2H-pyrrol-2-ylidene}methyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid |
|
 | | BLB | | 表記: | BLEOMYCIN B2 | | 組成式: | C55 H85 N20 O21 S2 | | SMILES: | O=C(N)C(N)CNC(c1nc(N)c(c(n1)C(=O)NC(C(=O)NC(C)C(O)C(C(=O)NC(C(=O)NCCc2nc(cs2)c3nc(C(=O)NCCCCNC(=[NH2+])N)cs3)C(O)C)C)C(OC5OC(CO)C(O)C(O)C5OC4OC(CO)C(O)C(OC(=O)N)C4O)c6ncnc6)C)CC(=O)N | | InChi: | InChI=1S/C55H84N20O21S2/c1-19-32(72-45(75-43(19)58)24(11-30(57)79)67-12-23(56)44(59)85)49(89)74-34(40(25-13-63-18-68-25)94-53-42(38(83)36(81)28(14-76)93-53)95-52-39(84)41(96-55(62)91)37(82)29(15-77)92-52)50(90)69-21(3)35(80)20(2)46(86)73-33(22(4)78)48(88)65-10-7-31-70-27(17-97-31)51-71-26(16-98-51)47(87)64-8-5-6-9-66-54(60)61/h13,16-18,20-24,28-29,33-42,52-53,67,76-78,80-84H,5-12,14-15,56H2,1-4H3,(H2,57,79)(H2,59,85)(H2,62,91)(H,63,68)(H,64,87)(H,65,88)(H,69,90)(H,73,86)(H,74,89)(H2,58,72,75)(H4,60,61,66)/p+1/t20-,21+,22+,23-,24-,28-,29+,33-,34-,35-,36+,37+,38-,39-,40-,41-,42-,52+,53-/m0/s1 | | 定義日: | 2000-11-21 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | amino[(4-{[(2'-{(5S,8S,9S,10R,13S)-15-{6-amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methylpyrimidin-4-yl}-13-[(R)-{[(2R,3S,4S,5S,6S)-3-{[(2R,3S,4S,5R,6R)-4-(carbamoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}(1H-imidazol-4-yl)methyl]-9-hydroxy-5-[(1R)-1-hydroxyethyl]-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazapentadec-1-yl}-2,4'-bi-1,3-thiazol-4-yl)carbonyl]amino}butyl)amino]methaniminium (non-preferred name) |
|
 | | SPE | | 表記: | THERMINE | | 組成式: | C9 H24 N4 | | SMILES: | NCCCNCCCNCCCN | | InChi: | InChI=1S/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2 | | 定義日: | 1999-07-08 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | N,N'-bis(3-aminopropyl)propane-1,3-diamine |
|
 | | SPF | | 表記: | SINAPOYL COENZYME A | | 組成式: | C32 H44 N7 O20 P3 S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C4(O)C(C)(C)C4OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C=Cc5cc(OC)c(O)c(OC)c5 | | InChi: | InChI=1S/C32H44N7O20P3S/c1-31(2)29(32(31,45)30(44)35-8-7-20(40)34-9-10-63-21(41)6-5-16-11-17(53-3)23(42)18(12-16)54-4)58-62(51,52)59-61(49,50)55-13-19-25(57-60(46,47)48)24(43)28(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h5-6,11-12,14-15,19,24-25,28-29,42-43,45H,7-10,13H2,1-4H3,(H,34,40)(H,35,44)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/b6-5+/t19-,24+,25-,28-,29-,32?/m1/s1 | | 定義日: | 2004-03-30 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | S-(2-{[3-({[(1R,3R)-3-{[(S)-{[(S)-{[(2R,3S,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-1-hydroxy-2,2-dimethylcyclopropyl]carbonyl}amino)propanoyl]amino}ethyl) (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enethioate (non-preferred name) |
|
 | | SPQ | | 表記: | (3R,4S,5R)-5-{[(1R)-1-CARBOXY-2-FLUORO-1-(PHOSPHONOOXY)ETHYL]OXY}-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID | | 組成式: | C10 H15 F O14 P2 | | SMILES: | O=C(O)C(OP(=O)(O)O)(OC1CC(=CC(OP(=O)(O)O)C1O)C(=O)O)CF | | InChi: | InChI=1S/C10H15FO14P2/c11-3-10(9(15)16,25-27(20,21)22)23-5-1-4(8(13)14)2-6(7(5)12)24-26(17,18)19/h2,5-7,12H,1,3H2,(H,13,14)(H,15,16)(H2,17,18,19)(H2,20,21,22)/t5-,6-,7+,10+/m1/s1 | | 定義日: | 2003-11-12 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (3R,4S,5R)-5-[(1R)-1-carboxy-2-fluoro-1-(phosphonooxy)ethoxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid |
|
 | | BLV | | 表記: | BILIVERDIN IX GAMMA CHROMOPHORE | | 組成式: | C33 H34 N4 O6 | | SMILES: | CC1=C(CCC(O)=O)C(=O)NC1=Cc2[nH]c(C=C3NC(=CC4=NC(=O)C(=C4C)CCC(O)=O)C(=C3C)C=C)c(C=C)c2C | | InChi: | InChI=1S/C33H34N4O6/c1-7-20-16(3)24(13-26-18(5)22(32(42)36-26)9-11-30(38)39)34-28(20)14-25-17(4)21(8-2)29(35-25)15-27-19(6)23(33(43)37-27)10-12-31(40)41/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,36,42)(H,38,39)(H,40,41)/b25-14-,26-13-,29-15- | | 定義日: | 1999-07-08 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 3-(4-methyl-5-methylene-2-oxo-2,5-dihydro-1H-pyrrol-3-yl)propanoic acid |
|
 | | SPV | | 表記: | SULFOPYRUVATE | | 組成式: | C3 H4 O6 S | | SMILES: | O=C(O)C(=O)CS(=O)(=O)O | | InChi: | InChI=1S/C3H4O6S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H,7,8,9) | | 定義日: | 2002-06-19 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 2-oxo-3-sulfopropanoic acid |
|
 | | BM4 | | 表記: | 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-3-yl]phenol | | 組成式: | C37 H58 N2 O2 | | SMILES: | Oc1cccc(c1)C2(CC)CCCCN(C2)CCCCCCCCCN4CCCCC(c3cccc(O)c3)(CC)C4 | | InChi: | InChI=1S/C37H58N2O2/c1-3-36(32-18-16-20-34(40)28-32)22-10-14-26-38(30-36)24-12-8-6-5-7-9-13-25-39-27-15-11-23-37(4-2,31-39)33-19-17-21-35(41)29-33/h16-21,28-29,40-41H,3-15,22-27,30-31H2,1-2H3/t36-,37+ | | 定義日: | 2009-01-06 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-3-yl]phenol |
|
 | | G30 | | 表記: | (1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid | | 組成式: | C11 H9 F2 N O3 | | SMILES: | O=C(Nc1cc(F)ccc1F)C2C(C(=O)O)C2 | | InChi: | InChI=1S/C11H9F2NO3/c12-5-1-2-8(13)9(3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)/t6-,7+/m1/s1 | | 定義日: | 2009-02-03 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid |
|
 | | SRP | | 表記: | SERYL ADENYLATE | | 組成式: | C13 H19 N6 O9 P | | SMILES: | O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CO | | InChi: | InChI=1S/C13H19N6O9P/c14-5(1-20)13(23)28-29(24,25)26-2-6-8(21)9(22)12(27-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-22H,1-2,14H2,(H,24,25)(H2,15,16,17)/t5-,6+,8+,9+,12+/m0/s1 | | 定義日: | 2004-06-29 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 5'-O-[(S)-{[(2S)-2-amino-3-hydroxypropanoyl]oxy}(hydroxy)phosphoryl]adenosine |
|
 | | SS3 | | 表記: | (2S)-1-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-2-AMINE | | 組成式: | C22 H22 N4 O | | SMILES: | n2c(c1cc(ccc1n2)c4cc(OCC(N)Cc3ccccc3)cnc4)C | | InChi: | InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1 | | 定義日: | 2007-05-01 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (2S)-1-{[5-(3-methyl-1H-indazol-5-yl)pyridin-3-yl]oxy}-3-phenylpropan-2-amine |
|
 | | SS4 | | 表記: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE | | 組成式: | C22 H21 Br N4 O | | SMILES: | Brc1ccc(cc1)CC(N)COc4cc(c2cc3c(cc2)nnc3C)cnc4 | | InChi: | InChI=1S/C22H21BrN4O/c1-14-21-10-16(4-7-22(21)27-26-14)17-9-20(12-25-11-17)28-13-19(24)8-15-2-5-18(23)6-3-15/h2-7,9-12,19H,8,13,24H2,1H3,(H,26,27)/t19-/m0/s1 | | 定義日: | 2007-05-02 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (2S)-1-(4-bromophenyl)-3-{[5-(3-methyl-1H-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine |
|
 | | SS5 | | 表記: | (2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE | | 組成式: | C29 H34 N4 O2 | | SMILES: | O(c1cccc(c1)CC(N)COc4cc(c2cc3c(cc2)nnc3C)cnc4)CC5CCCCC5 | | InChi: | InChI=1S/C29H34N4O2/c1-20-28-15-23(10-11-29(28)33-32-20)24-14-27(17-31-16-24)35-19-25(30)12-22-8-5-9-26(13-22)34-18-21-6-3-2-4-7-21/h5,8-11,13-17,21,25H,2-4,6-7,12,18-19,30H2,1H3,(H,32,33)/t25-/m0/s1 | | 定義日: | 2007-05-01 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (2S)-1-[3-(cyclohexylmethoxy)phenyl]-3-{[5-(3-methyl-1H-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine |
|
 | | SSA | | 表記: | 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE | | 組成式: | C13 H19 N7 O8 S | | SMILES: | O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CO | | InChi: | InChI=1S/C13H19N7O8S/c14-5(1-21)12(24)19-29(25,26)27-2-6-8(22)9(23)13(28-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 5'-O-(L-serylsulfamoyl)adenosine |
|
