| TNC | 表記: | 4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-2-CARBOXYLIC ACID AMIDE | 組成式: | C21 H20 N2 O6 | SMILES: | O=C(N)C4=C(O)C3=C(O)c2c(O)c1c(O)cccc1cc2CC3C(N(C)C)C4=O | InChi: | InChI=1S/C21H20N2O6/c1-23(2)16-10-7-9-6-8-4-3-5-11(24)12(8)17(25)13(9)18(26)14(10)19(27)15(20(16)28)21(22)29/h3-6,10,16,24-27H,7H2,1-2H3,(H2,22,29)/t10-,16+/m1/s1 | 別名: | DEHYDRATED SANCYCLINE | 定義日: | 2003-01-03 | 最終更新日: | 2021-03-01 | 識別子(ID): | (4S,4aR)-4-(dimethylamino)-1,10,11,12-tetrahydroxy-3-oxo-3,4,4a,5-tetrahydrotetracene-2-carboxamide |
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| MTN | 表記: | S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | 組成式: | C10 H18 N O3 S2 | SMILES: | ON1C(C=C(CSS(=O)(=O)C)C1(C)C)(C)C | InChi: | InChI=1S/C10H19NO3S2/c1-9(2)6-8(7-15-16(5,13)14)10(3,4)11(9)12/h6,12H,7H2,1-5H3 | 別名: | MTSL | 定義日: | 2003-12-10 | 最終更新日: | 2021-03-01 | 識別子(ID): | S-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate |
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| 0DB | 表記: | N-({1-[(2S)-2-carboxy-4-phenylbutyl]cyclopentyl}carbonyl)-L-tryptophan | 組成式: | C28 H32 N2 O5 | SMILES: | O=C(O)C(CCc1ccccc1)CC4(C(=O)NC(C(=O)O)Cc3c2ccccc2nc3)CCCC4 | InChi: | InChI=1S/C28H32N2O5/c31-25(32)20(13-12-19-8-2-1-3-9-19)17-28(14-6-7-15-28)27(35)30-24(26(33)34)16-21-18-29-23-11-5-4-10-22(21)23/h1-5,8-11,18,20,24,29H,6-7,12-17H2,(H,30,35)(H,31,32)(H,33,34)/t20-,24+/m1/s1 | 別名: | CCT | 定義日: | 2008-11-12 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-({1-[(2S)-2-carboxy-4-phenylbutyl]cyclopentyl}carbonyl)-L-tryptophan |
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| 0DS | 表記: | N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-leucyl-L-phenylalaninamide | 組成式: | C23 H36 N4 O5 | SMILES: | O=C(NO)CC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(C)C)CC(C)C | InChi: | InChI=1S/C23H36N4O5/c1-14(2)10-17(13-20(28)27-32)22(30)26-19(11-15(3)4)23(31)25-18(21(24)29)12-16-8-6-5-7-9-16/h5-9,14-15,17-19,32H,10-13H2,1-4H3,(H2,24,29)(H,25,31)(H,26,30)(H,27,28)/t17-,18+,19+/m1/s1 | 別名: | ICI U24522 | 定義日: | 2008-11-10 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-leucyl-L-phenylalaninamide |
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| 0E9 | 表記: | benzyl [(1R,4S,6S,9R)-4,6-dibenzyl-5-hydroxy-1,9-bis(1-methylethyl)-2,8,11-trioxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate | 組成式: | C43 H52 N4 O7 | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(Cc2ccccc2)C(O)C(NC(=O)C(NC(=O)OCc3ccccc3)C(C)C)Cc4ccccc4)C(C)C | InChi: | InChI=1S/C43H52N4O7/c1-29(2)37(46-42(51)53-27-33-21-13-7-14-22-33)40(49)44-35(25-31-17-9-5-10-18-31)39(48)36(26-32-19-11-6-12-20-32)45-41(50)38(30(3)4)47-43(52)54-28-34-23-15-8-16-24-34/h5-24,29-30,35-39,48H,25-28H2,1-4H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t35-,36-,37-,38-/m0/s1 | 別名: | A-74704 | 定義日: | 2008-11-07 | 最終更新日: | 2021-03-01 | 識別子(ID): | benzyl [(1R,4S,6S,9R)-4,6-dibenzyl-5-hydroxy-1,9-bis(1-methylethyl)-2,8,11-trioxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate (non-preferred name) |
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| DV1 | 表記: | (3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]thiazole-6,7-diol | 組成式: | C10 H16 N2 O4 S | SMILES: | OC[CH]1O[CH]2SC(=N[CH]2[CH](O)[CH]1O)NCC=C | InChi: | InChI=1S/C10H16N2O4S/c1-2-3-11-10-12-6-8(15)7(14)5(4-13)16-9(6)17-10/h2,5-9,13-15H,1,3-4H2,(H,11,12)/t5-,6-,7-,8-,9-/m1/s1 | 別名: | Propyleneaminothiazoline | 定義日: | 2015-10-21 | 最終更新日: | 2021-03-01 | 公開日: | 2016-08-31 | 識別子(ID): | (3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol |
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| E13 | 表記: | N-[(2S,3S)-4-{(4R)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-N~2~-{(2S)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-3-methyl-L-valinamide | 組成式: | C37 H53 N5 O7 S | SMILES: | O=C(NCC(C)(C)C)C3N(C(=O)C(O)C(NC(=O)C(NC(=O)C(c1ccccc1)NC(=O)OC)C(C)(C)C)Cc2ccccc2)CSC3(C)C | InChi: | InChI=1S/C37H53N5O7S/c1-35(2,3)21-38-32(46)29-37(7,8)50-22-42(29)33(47)27(43)25(20-23-16-12-10-13-17-23)39-31(45)28(36(4,5)6)41-30(44)26(40-34(48)49-9)24-18-14-11-15-19-24/h10-19,25-29,43H,20-22H2,1-9H3,(H,38,46)(H,39,45)(H,40,48)(H,41,44)/t25-,26-,27-,28+,29+/m0/s1 | 別名: | KNI-10562 | 定義日: | 2010-02-05 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-[(2S,3S)-4-{(4R)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-N~2~-{(2S)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-3-methyl-L-valinamide |
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| E17 | 表記: | N-{(1S,2S)-1-benzyl-3-[(4R)-5,5-dimethyl-4-{[(1R)-1,2,2-trimethylpropyl]carbamoyl}-1,3-thiazolidin-3-yl]-2-hydroxy-3-oxopropyl}-3-methyl-N~2~-{(2S)-2-[(morpholin-4-ylacetyl)amino]-2-phenylacetyl}-L-valinamide | 組成式: | C42 H62 N6 O7 S | SMILES: | O=C(NC(C)C(C)(C)C)C4N(C(=O)C(O)C(NC(=O)C(NC(=O)C(c1ccccc1)NC(=O)CN2CCOCC2)C(C)(C)C)Cc3ccccc3)CSC4(C)C | InChi: | InChI=1S/C42H62N6O7S/c1-27(40(2,3)4)43-38(53)35-42(8,9)56-26-48(35)39(54)33(50)30(24-28-16-12-10-13-17-28)44-37(52)34(41(5,6)7)46-36(51)32(29-18-14-11-15-19-29)45-31(49)25-47-20-22-55-23-21-47/h10-19,27,30,32-35,50H,20-26H2,1-9H3,(H,43,53)(H,44,52)(H,45,49)(H,46,51)/t27-,30+,32+,33+,34-,35-/m1/s1 | 別名: | KNI-10729 | 定義日: | 2010-02-05 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-{(2S,3S)-4-[(4R)-4-{[(2R)-3,3-dimethylbutan-2-yl]carbamoyl}-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl}-3-methyl-N~2~-{(2S)-2-[(morpholin-4-ylacetyl)amino]-2-phenylacetyl}-L-valinamide |
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| EP2 | 表記: | methyl N-[(2S)-4-{[(1S)-1-{[(2S)-2-carboxypyrrolidin-1-yl]carbonyl}-3-methylbutyl]amino}-2-hydroxy-4-oxobutanoyl]-L-leucylglycylglycinate | 組成式: | C26 H41 N5 O10 | SMILES: | O=C(NC(C(=O)N1C(C(=O)O)CCC1)CC(C)C)C2OC2C(=O)NC(C(=O)NCC(=O)NCC(=O)OC)CC(C)C | InChi: | InChI=1S/C26H41N5O10/c1-13(2)9-15(22(34)28-11-18(32)27-12-19(33)40-5)29-23(35)20-21(41-20)24(36)30-16(10-14(3)4)25(37)31-8-6-7-17(31)26(38)39/h13-17,20-21H,6-12H2,1-5H3,(H,27,32)(H,28,34)(H,29,35)(H,30,36)(H,38,39)/t15-,16-,17-,20-,21-/m0/s1 | 別名: | NS-134 | 定義日: | 2008-03-25 | 最終更新日: | 2021-03-01 | 識別子(ID): | methyl N-{[(2S,3S)-3-{[(1S)-1-{[(2S)-2-carboxypyrrolidin-1-yl]carbonyl}-3-methylbutyl]carbamoyl}oxiran-2-yl]carbonyl}-L-leucylglycylglycinate |
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| DQM | 表記: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid | 組成式: | C15 H26 N4 O7 S2 | SMILES: | C[CH](O)[CH]([CH]1N=C([CH](S[CH]2CN[CH](CN[S](N)(=O)=O)C2)[CH]1C)C(O)=O)C(O)=O | InChi: | InChI=1S/C15H26N4O7S2/c1-6-11(10(7(2)20)14(21)22)19-12(15(23)24)13(6)27-9-3-8(17-5-9)4-18-28(16,25)26/h6-11,13,17-18,20H,3-5H2,1-2H3,(H,21,22)(H,23,24)(H2,16,25,26)/t6-,7-,8+,9+,10-,11-,13+/m1/s1 | 別名: | Hydrolyzed Doripenem | 定義日: | 2015-11-27 | 最終更新日: | 2021-03-01 | 公開日: | 2016-05-11 | 識別子(ID): | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid |
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| FD6 | 表記: | N-[2-(2-chloranylphenothiazin-10-yl)ethyl]-4-methyl-piperazin-1-amine | 組成式: | C19 H23 Cl N4 S | SMILES: | CN1CCN(CC1)NCCN2c3ccccc3Sc4ccc(Cl)cc24 | InChi: | InChI=1S/C19H23ClN4S/c1-22-10-12-23(13-11-22)21-8-9-24-16-4-2-3-5-18(16)25-19-7-6-15(20)14-17(19)24/h2-7,14,21H,8-13H2,1H3 | 別名: | FD16 | 定義日: | 2016-03-10 | 最終更新日: | 2021-03-01 | 公開日: | 2017-01-25 | 識別子(ID): | N-[2-(2-chloranylphenothiazin-10-yl)ethyl]-4-methyl-piperazin-1-amine |
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| 2NC | 表記: | N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide | 組成式: | C35 H68 N11 O8 | SMILES: | O=C(NC(C(=O)NC(CCCC)CNC(C(=O)NC(C(=O)NC(C(=O)N)CCCNC(=[NH2+])N)CCC(=O)N)CCCC)C(C)CC)C(NC(=O)C)C(O)C | InChi: | InChI=1S/C35H67N11O8/c1-7-10-13-23(43-33(53)28(20(4)9-3)46-34(54)29(21(5)47)42-22(6)48)19-41-25(14-11-8-2)31(51)45-26(16-17-27(36)49)32(52)44-24(30(37)50)15-12-18-40-35(38)39/h20-21,23-26,28-29,41,47H,7-19H2,1-6H3,(H2,36,49)(H2,37,50)(H,42,48)(H,43,53)(H,44,52)(H,45,51)(H,46,54)(H4,38,39,40)/p+1/t20-,21+,23-,24-,25-,26-,28-,29-/m0/s1 | 別名: | p2/NC | 定義日: | 2008-03-24 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide |
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| N7X | 表記: | 5'-O-[(R)-hydroxy(sulfanylidene)-lambda~5~-phosphanyl]-2'-O-(2-methoxyethyl)-5-methylcytidine | 組成式: | C13 H22 N3 O8 P S | SMILES: | C(COC)OC1C(OC(C1O)COP(O)(O)=S)N2C(N=C(C(C)=C2)N)=O | InChi: | InChI=1S/C13H22N3O8PS/c1-7-5-16(13(18)15-11(7)14)12-10(22-4-3-21-2)9(17)8(24-12)6-23-25(19,20)26/h5,8-10,12,17H,3-4,6H2,1-2H3,(H2,14,15,18)(H2,19,20,26)/t8-,9-,10-,12-/m1/s1 | 定義日: | 2020-02-11 | 最終更新日: | 2021-02-05 | 公開日: | 2021-02-10 | 識別子(ID): | 2'-O-(2-methoxyethyl)-5-methyl-5'-O-thiophosphonocytidine |
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| QTE | 表記: | methylcyclohexane | 組成式: | C7 H14 | SMILES: | CC1CCCCC1 | InChi: | InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3 | 定義日: | 2020-08-06 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | methylcyclohexane |
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| RFT | 表記: | butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate | 組成式: | C15 H24 N2 O3 S3 | SMILES: | C(C(SC(SCCCC)=S)(C)C)(NCCN1C(CCC1=O)=O)=O | InChi: | InChI=1S/C15H24N2O3S3/c1-4-5-10-22-14(21)23-15(2,3)13(20)16-8-9-17-11(18)6-7-12(17)19/h4-10H2,1-3H3,(H,16,20) | 定義日: | 2020-05-13 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate |
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| LJT | 表記: | 2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol | 組成式: | C23 H30 Cl N3 O3 S | SMILES: | COc1cc2Sc3ccc(Cl)cc3N(CCCN4CCN(CCO)CC4)c2cc1OC | InChi: | InChI=1S/C23H30ClN3O3S/c1-29-20-15-19-23(16-21(20)30-2)31-22-5-4-17(24)14-18(22)27(19)7-3-6-25-8-10-26(11-9-25)12-13-28/h4-5,14-16,28H,3,6-13H2,1-2H3 | 定義日: | 2019-08-20 | 最終更新日: | 2020-09-04 | 公開日: | 2020-09-09 | 識別子(ID): | 2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol |
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| X99 | 表記: | 2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione | 組成式: | C20 H21 F2 N3 O4 | SMILES: | FC4(F)CC(C(=O)N1CCCC1)N(C(=O)CCN3C(=O)c2ccccc2C3=O)C4 | InChi: | InChI=1S/C20H21F2N3O4/c21-20(22)11-15(19(29)23-8-3-4-9-23)25(12-20)16(26)7-10-24-17(27)13-5-1-2-6-14(13)18(24)28/h1-2,5-6,15H,3-4,7-12H2/t15-/m0/s1 | 定義日: | 2008-10-09 | 最終更新日: | 2020-08-12 | 識別子(ID): | 2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-1H-isoindole-1,3(2H)-dione |
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| ROC | 表記: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1
-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide | 組成式: | C38 H50 N6 O5 | SMILES: | O=C(N)CC(NC(=O)c1nc2c(cc1)cccc2)C(=O)NC(Cc3ccccc3)C(O)CN5C(C(=O)NC(C)(C)C)CC4C(CCCC4)C5 | InChi: | InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1 | 別名: | Fortovase | 定義日: | 2000-01-04 | 最終更新日: | 2020-08-12 | 識別子(ID): | N~1~-{(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}-N~2~-(quinolin-2-ylcarbonyl)-L-aspartamide |
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| LAG | 表記: | MALTOSYL-ALPHA (1,4)-(Z,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE OXIME | 組成式: | C18 H32 N2 O15 | SMILES: | O(C1C(O)C(O)C(=NO)NC1CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO | InChi: | InChI=1S/C18H32N2O15/c21-1-4-14(9(26)11(28)16(19-4)20-31)34-18-13(30)10(27)15(6(3-23)33-18)35-17-12(29)8(25)7(24)5(2-22)32-17/h4-15,17-18,21-31H,1-3H2,(H,19,20)/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,17-,18-/m1/s1 | 別名: | MALTOSYL-ALPHA (1,4)-D-GLUCONHYDROXIMO-1,5-LACTAM | 定義日: | 2004-08-05 | 最終更新日: | 2020-07-23 | 識別子(ID): | (2R,3R,4R,5S,6Z)-4,5-dihydroxy-6-(hydroxyimino)-2-(hydroxymethyl)piperidin-3-yl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside |
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| 20X | 表記: | N-({(2E)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | 組成式: | C14 H18 F N3 O5 S | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(F)cc2 | InChi: | InChI=1S/C14H18FN3O5S/c15-8-3-1-7(2-4-8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1 | 別名: | 4-fluorobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone | 定義日: | 2010-04-30 | 最終更新日: | 2020-07-17 | 識別子(ID): | N-{[(2E)-2-(4-fluorobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
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| 22O | 表記: | N-({(2E)-2-[(3-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | 組成式: | C14 H18 Br N3 O5 S | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2cccc(Br)c2 | InChi: | InChI=1S/C14H18BrN3O5S/c15-8-3-1-2-7(4-8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1 | 別名: | 3-bromobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone | 定義日: | 2010-05-03 | 最終更新日: | 2020-07-17 | 識別子(ID): | N-{[(2E)-2-(3-bromobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
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| 22S | 表記: | N-({(2E)-2-[(2-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | 組成式: | C14 H18 Cl N3 O5 S | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccccc2Cl | InChi: | InChI=1S/C14H18ClN3O5S/c15-8-4-2-1-3-7(8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1 | 別名: | 2-chlorobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone | 定義日: | 2010-04-30 | 最終更新日: | 2020-07-17 | 識別子(ID): | N-{[(2E)-2-(2-chlorobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
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| 23V | 表記: | N-({(2E)-2-[(3-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | 組成式: | C14 H18 Cl N3 O5 S | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2cccc(Cl)c2 | InChi: | InChI=1S/C14H18ClN3O5S/c15-8-3-1-2-7(4-8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1 | 別名: | 3-chlorobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone | 定義日: | 2010-05-03 | 最終更新日: | 2020-07-17 | 識別子(ID): | N-{[(2E)-2-(3-chlorobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
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| 24S | 表記: | N-({(2Z)-2-[(2-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | 組成式: | C14 H18 N4 O7 S | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=Cc2ccccc2[N+]([O-])=O | InChi: | InChI=1S/C14H18N4O7S/c19-6-9-10(20)11(21)12(22)13(25-9)16-14(26)17-15-5-7-3-1-2-4-8(7)18(23)24/h1-5,9-13,19-22H,6H2,(H2,16,17,26)/b15-5-/t9-,10-,11+,12-,13-/m1/s1 | 別名: | 2-nitrobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone | 定義日: | 2010-05-03 | 最終更新日: | 2020-07-17 | 識別子(ID): | N-{[(2Z)-2-(2-nitrobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
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| 25E | 表記: | N-({(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | 組成式: | C14 H19 N3 O6 S | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=Cc2ccc(O)cc2 | InChi: | InChI=1S/C14H19N3O6S/c18-6-9-10(20)11(21)12(22)13(23-9)16-14(24)17-15-5-7-1-3-8(19)4-2-7/h1-5,9-13,18-22H,6H2,(H2,16,17,24)/b15-5-/t9-,10-,11+,12-,13-/m1/s1 | 別名: | 4-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone | 定義日: | 2010-05-03 | 最終更新日: | 2020-07-17 | 識別子(ID): | N-{[(2Z)-2-(4-hydroxybenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
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