 | | B6Y | | 表記: | (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | | 組成式: | C26 H46 N4 O10 S | | SMILES: | C(=O)(NC(C(=O)NC(CC1CCNC1=O)C(S(=O)(=O)O)O)CC(C)C)OC2(CCN(CC2)C(=O)OC(C)(C)C)CC | | InChi: | InChI=1S/C26H46N4O10S/c1-7-26(9-12-30(13-10-26)24(35)40-25(4,5)6)39-23(34)29-18(14-16(2)3)21(32)28-19(22(33)41(36,37)38)15-17-8-11-27-20(17)31/h16-19,22,33H,7-15H2,1-6H3,(H,27,31)(H,28,32)(H,29,34)(H,36,37,38)/t17-,18-,19-,22+/m0/s1 | | 別名: | bound form | | 定義日: | 2017-08-02 | | 最終更新日: | 2021-03-01 | | 公開日: | 2018-04-04 | | 識別子（ID）: | (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
|
 | | 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) |
|
 | | 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) |
|
 | | 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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 | | BLO | | 表記: | 1-(4-{[(3R)-3-AMINO-5-{[(Z)-AMINO(IMINO)METHYL](METHYL)AMINO}PENTANOYL]AMINO}-2,3,4-TRIDEOXY-D-ERYTHRO-HEX-2-ENOPYRANURONOSYL)-4-HYDROXYPYRIMIDIN-2(1H)-ONE | | 組成式: | C17 H25 N7 O6 | | SMILES: | O=C1N=C(O)C=CN1C2OC(C(=O)O)C(C=C2)NC(=O)CC(N)CCN(C(=[N@H])N)C | | InChi: | InChI=1S/C17H25N7O6/c1-23(16(19)20)6-4-9(18)8-12(26)21-10-2-3-13(30-14(10)15(27)28)24-7-5-11(25)22-17(24)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,19,20)(H,21,26)(H,27,28)(H,22,25,29)/t9-,10-,13+,14-/m0/s1 | | 別名: | DEAMINOHYDROXY BLASTICIDIN-S | | 定義日: | 2006-05-10 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 1-[4-({(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl}amino)-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl]-4-hydroxypyrimidin-2(1H)-one |
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 | | BLR | | 表記: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid | | 組成式: | C33 H36 N4 O6 | | SMILES: | CC1=C(C=C)C(NC1=O)=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C | | InChi: | InChI=1S/C33H36N4O6/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/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14- | | 別名: | Bilirubin IX alpha | | 定義日: | 2015-01-26 | | 最終更新日: | 2021-03-01 | | 公開日: | 2015-02-04 | | 識別子（ID）: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
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 | | BM5 | | 表記: | (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-3-CARBOXYLIC ACID METHYL ESTER | | 組成式: | C18 H15 N O3 S | | SMILES: | O=C2c1c(cccc1)C3(SCC(N23)C(=O)OC)c4ccccc4 | | InChi: | InChI=1S/C18H15NO3S/c1-22-17(21)15-11-23-18(12-7-3-2-4-8-12)14-10-6-5-9-13(14)16(20)19(15)18/h2-10,15H,11H2,1H3/t15-,18+/m0/s1 | | 別名: | BM +50.0934 | | 定義日: | 1999-07-20 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | methyl (3R,9bR)-5-oxo-9b-phenyl-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylate |
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 | | TRW | | 表記: | TRW3-(2-AMINO-3-HYDROXY-PROPYL)-6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-INDOL-7-OL | | 組成式: | C17 H18 N4 O2 | | SMILES: | O=CC(N)Cc2c1ccc(c(O)c1nc2)NNc3ccccc3 | | InChi: | InChI=1S/C17H18N4O2/c18-12(10-22)8-11-9-19-16-14(11)6-7-15(17(16)23)21-20-13-4-2-1-3-5-13/h1-7,9-10,12,19-21,23H,8,18H2/t12-/m0/s1 | | 別名: | PHENYLHYDRAZINE ADDUCT | | 定義日: | 2002-08-19 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (2S)-2-amino-3-[7-hydroxy-6-(2-phenylhydrazino)-1H-indol-3-yl]propanal |
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 | | TS2 | | 表記: | 2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID | | 組成式: | C27 H47 N9 O10 S2 | | SMILES: | O=C(O)C(N)CCC(=O)NC1C(=O)NCC(=O)NCCCCNCCCNC(=O)CNC(=O)C(NC(=O)CCC(C(=O)O)N)CSSC1 | | InChi: | InChI=1S/C27H47N9O10S2/c28-16(26(43)44)4-6-20(37)35-18-14-47-48-15-19(36-21(38)7-5-17(29)27(45)46)25(42)34-13-23(40)32-11-3-9-30-8-1-2-10-31-22(39)12-33-24(18)41/h16-19,30H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1 | | 別名: | RING WITH GLUTATHIONE AND SPERMIDINE | | 定義日: | 1999-07-08 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (2S,2'S)-5,5'-{[(4R,23R)-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentaazacyclotetracosane-4,23-diyl]diimino}bis(2-amino-5-oxopentanoic acid) (non-preferred name) |
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 | | BMR | | 表記: | ((2R,3S,5R)-3-hydroxy-5-(3-methoxynaphthalen-2-yl)methyl-tetrahydrogen-triphosphate | | 組成式: | C16 H21 O13 P3 | | SMILES: | COc1cc2ccccc2cc1[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3 | | InChi: | InChI=1S/C16H21O13P3/c1-25-14-7-11-5-3-2-4-10(11)6-12(14)15-8-13(17)16(27-15)9-26-31(21,22)29-32(23,24)28-30(18,19)20/h2-7,13,15-17H,8-9H2,1H3,(H,21,22)(H,23,24)(H2,18,19,20)/p-4/t13-,15+,16+/m0/s1 | | 別名: | dNaM-Triphosphate | | 定義日: | 2013-10-02 | | 最終更新日: | 2021-03-01 | | 公開日: | 2013-12-11 | | 識別子（ID）: | [[(2R,3S,5R)-5-(3-methoxynaphthalen-2-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | BMV | | 表記: | 3-BENZYL-1-(1H-IMIDAZOL-4-YLMETHYL)-4-(THIEN-2-YLSULFONYL)-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPINE-7-CARBONITRILE | | 組成式: | C25 H23 N5 O2 S2 | | SMILES: | O=S(=O)(N3C(Cc1ccccc1)CN(c2ccc(C#N)cc2C3)Cc4ncnc4)c5sccc5 | | InChi: | InChI=1S/C25H23N5O2S2/c26-13-20-8-9-24-21(11-20)15-30(34(31,32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-29(24)16-22-14-27-18-28-22/h1-11,14,18,23H,12,15-17H2,(H,27,28)/t23-/m1/s1 | | 別名: | BMS-214662 | | 定義日: | 2004-02-18 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (3R)-3-benzyl-1-(1H-imidazol-4-ylmethyl)-4-(thiophen-2-ylsulfonyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile |
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 | | BN1 | | 表記: | (S)-2-AMINO-3-[3-HYDROXY-5-(2-METHYL-2H-TETRAZOL-5-YL)ISOXAZOL-4-YL]PROPIONIC ACID | | 組成式: | C8 H10 N6 O4 | | SMILES: | O=C(O)C(N)Cc1c(onc1O)c2nn(nn2)C | | InChi: | InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17) | | 別名: | 2-ME-TET-AMPA | | 定義日: | 2002-07-11 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 3-[3-hydroxy-5-(2-methyl-2H-tetrazol-5-yl)isoxazol-4-yl]alanine |
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 | | TSS | | 表記: | 2-(1H-INDOL-3-YL)ETHANAMINE | | 組成式: | C10 H12 N2 | | SMILES: | c1cccc2c1c(cn2)CCN | | InChi: | InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 | | 別名: | TRYPTAMINE | | 定義日: | 2005-08-08 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 2-(1H-indol-3-yl)ethanamine |
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 | | BNI | | 表記: | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE | | 組成式: | C16 H20 N4 O4 S | | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)Nc3ccc([N+]([O-])=O)cc3 | | InChi: | InChI=1S/C16H20N4O4S/c21-14(17-10-5-7-11(8-6-10)20(23)24)4-2-1-3-13-15-12(9-25-13)18-16(22)19-15/h5-8,12-13,15H,1-4,9H2,(H,17,21)(H2,18,19,22)/t12-,13-,15-/m0/s1 | | 別名: | BIOTINYL P-NITROANILINE | | 定義日: | 2001-03-23 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | N-(4-nitrophenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide |
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 | | TSX | | 表記: | N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-PHENYL]-ACETAMIDE | | 組成式: | C21 H25 N5 O3 | | SMILES: | O=C(Nc1ccc(cc1)Cc3nc2N(C(=O)N(C(=O)c2n3)CC=C)CCCC)C | | InChi: | InChI=1S/C21H25N5O3/c1-4-6-12-25-19-18(20(28)26(11-5-2)21(25)29)23-17(24-19)13-15-7-9-16(10-8-15)22-14(3)27/h5,7-10H,2,4,6,11-13H2,1,3H3,(H,22,27)(H,23,24) | | 別名: | 1-ALLYL-3-BUTYL-8-(N-ACETYL-4-AMINOBENZYL)-XANTHINE | | 定義日: | 2002-07-09 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | N-{4-[(3-butyl-2,6-dioxo-1-prop-2-en-1-yl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]phenyl}acetamide |
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 | | BNR | | 表記: | BIS-DAUNORUBICIN | | 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(C(O)C4)[NH2+]Cc5ccc(cc5)C[NH2+]C%10C(OC(OC9c8c(O)c7C(=O)c6c(OC)cccc6C(=O)c7c(O)c8CC(O)(C(=O)C)C9)CC%10O)C | | InChi: | InChI=1S/C62H64N2O20/c1-25-51(35(67)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)24-64-52-26(2)82-42(18-36(52)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: | WP652 | | 定義日: | 2001-11-30 | | 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}-4-hydroxy-2-methyltetrahydro-2H-pyran-3-aminium) (non-preferred name) |
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 | | BO2 | | 表記: | N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE | | 組成式: | C19 H25 B N4 O4 | | SMILES: | O=C(NC(C(=O)NC(B(O)O)CC(C)C)Cc1ccccc1)c2nccnc2 | | InChi: | InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1 | | 別名: | BORTEZOMIB | | 定義日: | 2006-01-06 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-Nalpha-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide |
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 | | TTF | | 表記: | 4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE | | 組成式: | C8 H5 F3 O2 S | | SMILES: | O=C(c1sccc1)CC(=O)C(F)(F)F | | InChi: | InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2 | | 別名: | 2-THENOYLTRIFLUOROACETONE | | 定義日: | 2005-05-18 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione |
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 | | TTG | | 表記: | 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID | | 組成式: | C23 H25 N3 O6 | | SMILES: | O=C(O)C(O)(C=4C=C3c2nc1ccc(O)c(c1cc2CN3C(=O)C=4CO)CN(C)C)CC | | InChi: | InChI=1S/C23H25N3O6/c1-4-23(32,22(30)31)16-8-18-20-12(9-26(18)21(29)15(16)11-27)7-13-14(10-25(2)3)19(28)6-5-17(13)24-20/h5-8,27-28,32H,4,9-11H2,1-3H3,(H,30,31)/t23-/m0/s1 | | 別名: | HYDROLYZED PRODUCT OF TOPOTECAN | | 定義日: | 2002-01-15 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (2S)-2-{1-[(dimethylamino)methyl]-2-hydroxy-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl}-2-hydroxybutanoic acid |
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 | | BO9 | | 表記: | N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]-N2-[(TERT-BUTOXYCARBONYL)-D-GAMMA-GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL-L-LYSINAMIDE | | 組成式: | C26 H41 B N4 O10 | | SMILES: | O=C(OC(C)(C)C)NC(C(=O)O)CCC(=O)NC(C(=O)NC(B(O)O)C)CCCCNC(=O)OCc1ccccc1 | | InChi: | InChI=1S/C26H41BN4O10/c1-17(27(38)39)29-22(33)19(12-8-9-15-28-24(36)40-16-18-10-6-5-7-11-18)30-21(32)14-13-20(23(34)35)31-25(37)41-26(2,3)4/h5-7,10-11,17,19-20,38-39H,8-9,12-16H2,1-4H3,(H,28,36)(H,29,33)(H,30,32)(H,31,37)(H,34,35)/t17-,19+,20+/m1/s1 | | 別名: | BOC-GAMMA-D-GLU-L-LYS(CBZ)-D-BOROALA | | 定義日: | 2005-04-18 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | N-(tert-butoxycarbonyl)-L-gamma-glutamyl-N~6~-[(benzyloxy)carbonyl]-N-[(1S)-1-(dihydroxyboranyl)ethyl]-L-lysinamide |
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 | | TTI | | 表記: | 2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate) | | 組成式: | C9 H13 N2 O8 P Te | | SMILES: | [Te]=C2C(=O)NC(=O)N(C1OC(C(O)C1)COP(=O)(O)O)C2 | | InChi: | InChI=1S/C9H13N2O8PTe/c12-4-1-7(19-5(4)3-18-20(15,16)17)11-2-6(21)8(13)10-9(11)14/h4-5,7,12H,1-3H2,(H,10,13,14)(H2,15,16,17)/t4-,5+,7+/m0/s1 | | 別名: | 5-Tellurium-deoxyuridine-5'-phosphate | | 定義日: | 2008-12-03 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate) |
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 | | BPE | | 表記: | (2S)-2-AMINO-3-[(3-AMINOPROPYL)SULFANYL]PROPAN-1-OL | | 組成式: | C6 H16 N2 O S | | SMILES: | OCC(N)CSCCCN | | InChi: | InChI=1S/C6H16N2OS/c7-2-1-3-10-5-6(8)4-9/h6,9H,1-5,7-8H2/t6-/m1/s1 | | 別名: | S-PROPYLAMINE-L-CYSTEINE | | 定義日: | 2005-05-20 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (2R)-2-amino-3-[(3-aminopropyl)sulfanyl]propan-1-ol |
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 | | BPI | | 表記: | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL | | 組成式: | C18 H16 O3 | | SMILES: | OC4c3c(c1c(ccc2c1cccc2)cc3)CC(O)C4O | | InChi: | InChI=1S/C18H16O3/c19-15-9-14-13(17(20)18(15)21)8-7-11-6-5-10-3-1-2-4-12(10)16(11)14/h1-8,15,17-21H,9H2/t15-,17-,18-/m1/s1 | | 別名: | 1S-TRANS-ANTI-BENZO[C]PHENANTHRENE | | 定義日: | 2001-01-25 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | (2R,3R,4R)-1,2,3,4-tetrahydrobenzo[c]phenanthrene-2,3,4-triol |
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 | | TUX | | 表記: | 1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL | | 組成式: | C22 H41 N O7 | | SMILES: | O=C(NO)CC1C(OC(=O)CCCCCCCCCCCCC)C(O)C(OC1)CO | | InChi: | InChI=1S/C22H41NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(26)30-22-17(14-19(25)23-28)16-29-18(15-24)21(22)27/h17-18,21-22,24,27-28H,2-16H2,1H3,(H,23,25)/t17-,18+,21+,22+/m0/s1 | | 別名: | TU-514 | | 定義日: | 2003-03-18 | | 最終更新日: | 2021-03-01 | | 識別子（ID）: | 1,5-anhydro-2-deoxy-2-[2-(hydroxyamino)-2-oxoethyl]-3-O-tetradecanoyl-D-glucitol |
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