 | B65 | 表記: | (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid | 組成式: | C16 H19 O7 P S | SMILES: | O=S(=O)(O)C(P(=O)(O)O)CCCc2cc(Oc1ccccc1)ccc2 | InChi: | InChI=1S/C16H19O7PS/c17-24(18,19)16(25(20,21)22)11-5-7-13-6-4-10-15(12-13)23-14-8-2-1-3-9-14/h1-4,6,8-10,12,16H,5,7,11H2,(H2,17,18,19)(H,20,21,22)/t16-/m1/s1 | 別名: | BPH-652 | 定義日: | 2007-11-14 | 最終更新日: | 2021-03-01 | 識別子(ID): | (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid |
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 | TXF | 表記: | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | 組成式: | C27 H31 N O3 | SMILES: | O(c1ccc(cc1)/C(c2ccc(O)cc2)=C(c3ccccc3)CCCO)CCN(C)C | InChi: | InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26- | 別名: | GSK5182 | 定義日: | 2005-11-16 | 最終更新日: | 2021-03-01 | 識別子(ID): | 4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hydroxy-2-phenylpent-1-en-1-yl]phenol |
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 | B7A | 表記: | 2'-deoxy-5-formyluridine 5'-(tetrahydrogen triphosphate) | 組成式: | C10 H15 N2 O15 P3 | SMILES: | C2(COP(=O)(O)OP(O)(OP(=O)(O)O)=O)C(CC(N1C(NC(C(C=O)=C1)=O)=O)O2)O | InChi: | InChI=1S/C10H15N2O15P3/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,6-8,14H,1,4H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t6-,7+,8+/m0/s1 | 別名: | 5-FodUTP | 定義日: | 2017-08-03 | 最終更新日: | 2021-03-01 | 公開日: | 2017-09-13 | 識別子(ID): | 2'-deoxy-5-formyluridine 5'-(tetrahydrogen triphosphate) |
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 | B7J | 表記: | 2'-deoxy-5-formylcytidine 5'-(tetrahydrogen triphosphate) | 組成式: | C10 H16 N3 O14 P3 | SMILES: | C2(COP(=O)(O)OP(O)(OP(O)(O)=O)=O)C(CC(N1C(N=C(C(C=O)=C1)N)=O)O2)O | InChi: | InChI=1S/C10H16N3O14P3/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,6-8,15H,1,4H2,(H,20,21)(H,22,23)(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1 | 別名: | 5-FodCTP | 定義日: | 2017-08-03 | 最終更新日: | 2021-03-01 | 公開日: | 2017-09-13 | 識別子(ID): | 2'-deoxy-5-formylcytidine 5'-(tetrahydrogen triphosphate) |
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 | B7P | 表記: | 2'-deoxy-5-fluorouridine 5'-(tetrahydrogen triphosphate) | 組成式: | C9 H14 F N2 O14 P3 | SMILES: | C1=C(F)C(=O)NC(N1C2CC(O)C(O2)COP(=O)(O)OP(O)(OP(=O)(O)O)=O)=O | InChi: | InChI=1S/C9H14FN2O14P3/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h2,5-7,13H,1,3H2,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1 | 別名: | 5-FdUTP | 定義日: | 2017-08-03 | 最終更新日: | 2021-03-01 | 公開日: | 2017-09-13 | 識別子(ID): | 2'-deoxy-5-fluorouridine 5'-(tetrahydrogen triphosphate) |
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 | B81 | 表記: | (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol | 組成式: | C19 H30 O2 | SMILES: | OC4CCC1(C(=CCC2C1CCC3(C2CCC3O)C)C4)C | InChi: | InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1 | 別名: | 5-Androstenediol | 定義日: | 2009-07-29 | 最終更新日: | 2021-03-01 | 識別子(ID): | (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol |
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 | B82 | 表記: | 2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid | 組成式: | C18 H19 Br N2 O5 S | SMILES: | CCN(CC)[S](=O)(=O)c1cc(ccc1Br)C(=O)Nc2ccccc2C(O)=O | InChi: | InChI=1S/C18H19BrN2O5S/c1-3-21(4-2)27(25,26)16-11-12(9-10-14(16)19)17(22)20-15-8-6-5-7-13(15)18(23)24/h5-11H,3-4H2,1-2H3,(H,20,22)(H,23,24) | 別名: | 2-({4-bromo-3-[(diethylamino)sulfonyl]benzoyl}amino)benzoic acid | 定義日: | 2009-08-10 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-[[4-bromo-3-(diethylsulfamoyl)phenyl]carbonylamino]benzoic acid |
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 | B89 | 表記: | (5S)-2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)cyclohex-2-en-1-one | 組成式: | C17 H24 Cl N O4 | SMILES: | Cl[C@H]=CCON=C(C=2C(=O)CC(C1CCOCC1)CC=2O)CC | InChi: | InChI=1S/C17H24ClNO4/c1-2-14(19-23-7-3-6-18)17-15(20)10-13(11-16(17)21)12-4-8-22-9-5-12/h3,6,12-13,20H,2,4-5,7-11H2,1H3/b6-3+,19-14+/t13-/m0/s1 | 別名: | tepraloxydim | 定義日: | 2009-10-19 | 最終更新日: | 2021-03-01 | 識別子(ID): | (5S)-2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)cyclohex-2-en-1-one |
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 | B8L | 表記: | 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE | 組成式: | C32 H36 N2 O7 | SMILES: | O=C(c1cc(OC)ccc1O)c2ccc(cc2)C(=O)OC4CCCNCC4NC(=O)c3ccc(O)c(c3)C(C)CC | InChi: | InChI=1S/C32H36N2O7/c1-4-19(2)24-16-22(11-13-27(24)35)31(38)34-26-18-33-15-5-6-29(26)41-32(39)21-9-7-20(8-10-21)30(37)25-17-23(40-3)12-14-28(25)36/h7-14,16-17,19,26,29,33,35-36H,4-6,15,18H2,1-3H3,(H,34,38)/t19-,26+,29+/m0/s1 | 別名: | BALANOL ANALOG 8 | 定義日: | 2003-12-03 | 最終更新日: | 2021-03-01 | 識別子(ID): | (3R,4R)-3-[({4-hydroxy-3-[(1S)-1-methylpropyl]phenyl}carbonyl)amino]azepan-4-yl 4-[(2-hydroxy-5-methoxyphenyl)carbonyl]benzoate |
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 | U04 | 表記: | ({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-3-YL)-PROPYL]-PHENYLCARBAMOYL}-METHYL)-CARBAMIC ACID TERT-BUTYL ESTER | 組成式: | C25 H28 N2 O6 | SMILES: | O=C(OC(C)(C)C)NCC(=O)Nc1cccc(c1)C(C2=C(O)c3c(OC2=O)cccc3)CC | InChi: | InChI=1S/C25H28N2O6/c1-5-17(21-22(29)18-11-6-7-12-19(18)32-23(21)30)15-9-8-10-16(13-15)27-20(28)14-26-24(31)33-25(2,3)4/h6-13,17,29H,5,14H2,1-4H3,(H,26,31)(H,27,28)/t17-/m0/s1 | 別名: | U097410 | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | tert-butyl [2-({3-[(1S)-1-(4-hydroxy-2-oxo-2H-chromen-3-yl)propyl]phenyl}amino)-2-oxoethyl]carbamate |
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 | U05 | 表記: | 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE | 組成式: | C15 H14 N4 O3 | SMILES: | [O-][N+](=O)c2ccc3N(C(=O)c1cccnc1N(c3c2)CC)C | InChi: | InChI=1S/C15H14N4O3/c1-3-18-13-9-10(19(21)22)6-7-12(13)17(2)15(20)11-5-4-8-16-14(11)18/h4-9H,3H2,1-2H3 | 別名: | 1051U91 | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | 11-ethyl-6-methyl-9-nitro-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one |
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 | BA5 | 表記: | methyl 4-azanyl-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxylate | 組成式: | C10 H9 N3 O4 | SMILES: | COC(=O)C1=C(N)c2cccnc2N(O)C1=O | InChi: | InChI=1S/C10H9N3O4/c1-17-10(15)6-7(11)5-3-2-4-12-8(5)13(16)9(6)14/h2-4,16H,11H2,1H3 | 別名: | XZ462 | 定義日: | 2017-09-29 | 最終更新日: | 2021-03-01 | 公開日: | 2018-04-11 | 識別子(ID): | methyl 4-azanyl-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxylate |
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 | BAG | 表記: | N-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-2-HYDROXYVINYL]BENZAMIDE | 組成式: | C13 H19 N5 O2 | SMILES: | O=C(N/C(=C(/O)N)CCCNC(=[N@H])N)c1ccccc1 | InChi: | InChI=1S/C13H19N5O2/c14-11(19)10(7-4-8-17-13(15)16)18-12(20)9-5-2-1-3-6-9/h1-3,5-6,19H,4,7-8,14H2,(H,18,20)(H4,15,16,17) | 別名: | BENZOYL-L-ARGININE AMIDE | 定義日: | 2004-05-13 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-{(1E)-1-[amino(hydroxy)methylidene]-4-carbamimidamidobutyl}benzamide |
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 | U16 | 表記: | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-ISOPROPYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE | 組成式: | C22 H35 N3 O5 | SMILES: | O=C(OC)C(NC(=O)C(NC(=O)C(O)C(N)c1ccc(cc1)C(C)C)C)CC(C)C | InChi: | InChI=1S/C22H35N3O5/c1-12(2)11-17(22(29)30-6)25-20(27)14(5)24-21(28)19(26)18(23)16-9-7-15(8-10-16)13(3)4/h7-10,12-14,17-19,26H,11,23H2,1-6H3,(H,24,28)(H,25,27)/t14-,17+,18+,19-/m0/s1 | 別名: | 2-{2-[3-AMINO-2-HYDROXY-3-(4-ISOPROPYL-PHENYL)-PROPIONYLAMINO]-PROPIONYLAMINO}-4-METHYL-PENTANOIC ACID METHYL ESTER | 定義日: | 2006-04-03 | 最終更新日: | 2021-03-01 | 識別子(ID): | methyl N-{(2S,3R)-3-amino-2-hydroxy-3-[4-(1-methylethyl)phenyl]propanoyl}-L-alanyl-D-leucinate |
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 | U1K | 表記: | (S)-2-AMINO-3-(3-HYDROXY-5-TERT-BUTYLISOTHIAZOL-4-YL) PROPRIONIC ACID | 組成式: | C10 H16 N2 O3 S | SMILES: | [O-]c1nsc(c1CC(C(=O)O)[NH3+])C(C)(C)C | InChi: | InChI=1S/C10H16N2O3S/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/t6-/m0/s1 | 別名: | THIO-ATPA | 定義日: | 2003-08-05 | 最終更新日: | 2021-03-01 | 識別子(ID): | 4-[(2S)-2-ammonio-2-carboxyethyl]-5-tert-butylisothiazol-3-olate |
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 | BB1 | 表記: | 2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEXANOIC ACID (1-DIMETHYLCARBAMOYL-2,2-DIMETHYL-PROPYL)-AMIDE | 組成式: | C16 H31 N3 O4 | SMILES: | O=C(N(C)C)C(NC(=O)C(CCCC)CN(O)C=O)C(C)(C)C | InChi: | InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1 | 別名: | BB-3497 | 定義日: | 2000-10-22 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2R)-N-[(1S)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-2-{[formyl(hydroxy)amino]methyl}hexanamide |
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 | BB2 | 表記: | ACTINONIN | 組成式: | C19 H35 N3 O5 | SMILES: | O=C(N1C(CO)CCC1)C(NC(=O)C(CC(=O)NO)CCCCC)C(C)C | InChi: | InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1 | 別名: | 2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEPTANOIC ACID [1-(2-HYDROXYMETHYL-PYRROLIDINE-1-CARBONYL)-2-METHYL-PROPYL]-AMIDE | 定義日: | 2000-10-23 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2R)-N~4~-hydroxy-N~1~-[(1S)-1-{[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-2-methylpropyl]-2-pentylbutanediamide |
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 | BBA | 表記: | 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE | 組成式: | C23 H28 N4 O | SMILES: | O=C1C(CCCCC1Cc2ccc(C(=[N@H])N)cc2)Cc3ccc(C(=[N@H])N)cc3 | InChi: | InChI=1S/C23H28N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-12,19-20H,1-4,13-14H2,(H3,24,25)(H3,26,27)/t19-,20-/m0/s1 | 別名: | BIS-BENZAMIDINE | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | 4,4'-{[(1S,3S)-2-oxocycloheptane-1,3-diyl]dimethanediyl}dibenzenecarboximidamide |
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 | BCH | 表記: | 2-(BUTYRYLSULFANYL)-N,N,N-TRIMETHYLETHANAMINIUM | 組成式: | C9 H20 N O S | SMILES: | O=C(SCC[N+](C)(C)C)CCC | InChi: | InChI=1S/C9H20NOS/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1 | 別名: | BUTYRYLTHIOCHOLINE | 定義日: | 2003-04-17 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-(butanoylsulfanyl)-N,N,N-trimethylethanaminium |
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 | VOG | 表記: | (1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol | 組成式: | C10 H21 N O7 | SMILES: | C1(CC(C(C(C1O)O)O)NC(CO)CO)(O)CO | InChi: | InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1 | 別名: | voglibose | 定義日: | 2018-01-30 | 最終更新日: | 2021-03-01 | 公開日: | 2018-02-28 | 識別子(ID): | (1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol |
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 | BD2 | 表記: | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXYBENZOYL)BENZOATE | 組成式: | C27 H26 N2 O6 | SMILES: | O=C(c1ccccc1O)c2ccc(cc2)C(=O)OC4CCCNCC4NC(=O)c3ccc(O)cc3 | InChi: | InChI=1S/C27H26N2O6/c30-20-13-11-18(12-14-20)26(33)29-22-16-28-15-3-6-24(22)35-27(34)19-9-7-17(8-10-19)25(32)21-4-1-2-5-23(21)31/h1-2,4-5,7-14,22,24,28,30-31H,3,6,15-16H2,(H,29,33)/t22-,24-/m1/s1 | 別名: | BALANOL ANALOG 2 | 定義日: | 2003-12-01 | 最終更新日: | 2021-03-01 | 識別子(ID): | (3R,4R)-3-{[(4-hydroxyphenyl)carbonyl]amino}azepan-4-yl 4-[(2-hydroxyphenyl)carbonyl]benzoate |
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 | BDA | 表記: | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | 組成式: | C62 H66 N2 O20 | SMILES: | O=C2c1c(O)c%11c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)C)CC%11OC4OC(C)C(O)C(C4)[NH2+]Cc5ccc(cc5)C[NH2+]C%10C(O)C(OC(OC9c8c(O)c7C(=O)c6c(OC)cccc6C(=O)c7c(O)c8CC(O)(C(=O)C)C9)C%10)C | InChi: | InChI=1S/C62H64N2O20/c1-25-51(67)35(17-41(81-25)83-39-21-61(77,27(3)65)19-33-45(39)59(75)49-47(55(33)71)53(69)31-9-7-11-37(79-5)43(31)57(49)73)63-23-29-13-15-30(16-14-29)24-64-36-18-42(82-26(2)52(36)68)84-40-22-62(78,28(4)66)20-34-46(40)60(76)50-48(56(34)72)54(70)32-10-8-12-38(80-6)44(32)58(50)74/h7-16,25-26,35-36,39-42,51-52,63-64,67-68,71-72,75-78H,17-24H2,1-6H3/p+2/t25-,26-,35-,36-,39-,40-,41-,42-,51+,52+,61-,62-/m0/s1 | 別名: | WP631 | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2S,3S,4S,6R,2'S,3'S,4'S,6'R)-N,N'-(benzene-1,4-diyldimethanediyl)bis(6-{[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}-3-hydroxy-2-methyltetrahydro-2H-pyran-4-aminium) (non-preferred name) |
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 | BDC | 表記: | BIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-4-CARBOXAMIDE | 組成式: | C44 H54 N8 O2 | SMILES: | O=C(NCCN(C)C)c3c2nc1c(cccc1)c(c2ccc3)NCCCCCCCCNc4c6c(nc5c4cccc5C(=O)NCCN(C)C)cccc6 | InChi: | InChI=1S/C44H54N8O2/c1-51(2)29-27-47-43(53)35-21-15-19-33-39(31-17-9-11-23-37(31)49-41(33)35)45-25-13-7-5-6-8-14-26-46-40-32-18-10-12-24-38(32)50-42-34(40)20-16-22-36(42)44(54)48-28-30-52(3)4/h9-12,15-24H,5-8,13-14,25-30H2,1-4H3,(H,45,49)(H,46,50)(H,47,53)(H,48,54) | 別名: | BIS-DACA | 定義日: | 2001-10-12 | 最終更新日: | 2021-03-01 | 識別子(ID): | 9,9'-(octane-1,8-diyldiimino)bis{N-[2-(dimethylamino)ethyl]acridine-4-carboxamide} |
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 | VPD | 表記: | 6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine | 組成式: | C19 H29 Cl N5 O9 P | SMILES: | C(CO)(OCC1C(C(C(O1)n4c2c(c(nc(Cl)n2)NC3CCCC3)cn4)O)O)(COC)P(=O)(O)O | InChi: | InChI=1S/C19H29ClN5O9P/c1-32-9-19(8-26,35(29,30)31)33-7-12-13(27)14(28)17(34-12)25-16-11(6-21-25)15(23-18(20)24-16)22-10-4-2-3-5-10/h6,10,12-14,17,26-28H,2-5,7-9H2,1H3,(H,22,23,24)(H2,29,30,31)/t12-,13-,14-,17-,19-/m1/s1 | 別名: | OP-0105244 | 定義日: | 2020-08-31 | 最終更新日: | 2021-03-01 | 公開日: | 2020-09-23 | 識別子(ID): | 6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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 | VPP | 表記: | (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | 組成式: | C23 H29 N5 O8 S | SMILES: | O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)NC(=O)N3C(=O)C(=O)N(CC)CC3 | InChi: | InChI=1S/C23H29N5O8S/c1-4-27-10-11-28(19(31)18(27)30)22(36)25-13(12-8-6-5-7-9-12)16(29)24-14(20(32)33)17-26-15(21(34)35)23(2,3)37-17/h5-9,13-15,17,26H,4,10-11H2,1-3H3,(H,24,29)(H,25,36)(H,32,33)(H,34,35)/t13-,14+,15+,17+/m1/s1 | 別名: | (5S)-Penicilloic Acid | 定義日: | 2013-07-18 | 最終更新日: | 2021-03-01 | 公開日: | 2013-11-06 | 識別子(ID): | (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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