![SY1 SY1](https://data.pdbj.org/pdbjplus/data/cc/svg/SY1.svg) | SY1 | 表記: | 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE | 組成式: | C21 H21 N5 O | SMILES: | N#Cc1ccccc1CN2C(=O)c4c(N=C2N3CCCC(N)C3)cccc4 | InChi: | InChI=1S/C21H21N5O/c22-12-15-6-1-2-7-16(15)13-26-20(27)18-9-3-4-10-19(18)24-21(26)25-11-5-8-17(23)14-25/h1-4,6-7,9-10,17H,5,8,11,13-14,23H2/t17-/m1/s1 | 定義日: | 2007-03-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | 2-({2-[(3R)-3-aminopiperidin-1-yl]-4-oxoquinazolin-3(4H)-yl}methyl)benzonitrile |
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![GA4 GA4](https://data.pdbj.org/pdbjplus/data/cc/svg/GA4.svg) | GA4 | 表記: | GIBBERELLIN A4 | 組成式: | C19 H24 O5 | SMILES: | O=C(O)C4C21CC(C(=C)C1)CCC2C35OC(=O)C(C)(C34)C(O)CC5 | InChi: | InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1 | 定義日: | 2001-11-26 | 最終更新日: | 2011-06-04 | 識別子(ID): | (1S,2S,4aR,4bR,7R,9aR,10S,10aR)-2-hydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid |
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![SYE SYE](https://data.pdbj.org/pdbjplus/data/cc/svg/SYE.svg) | SYE | 表記: | (quinolin-2-ylmethyl)phosphonic acid | 組成式: | C10 H10 N O3 P | SMILES: | O=P(O)(O)Cc1nc2ccccc2cc1 | InChi: | InChI=1S/C10H10NO3P/c12-15(13,14)7-9-6-5-8-3-1-2-4-10(8)11-9/h1-6H,7H2,(H2,12,13,14) | 定義日: | 2010-09-14 | 最終更新日: | 2011-06-04 | 識別子(ID): | (quinolin-2-ylmethyl)phosphonic acid |
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![GAN GAN](https://data.pdbj.org/pdbjplus/data/cc/svg/GAN.svg) | GAN | 表記: | 2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-YL]-1-OXOPROPYL-VALINYL-VALINE-METHYLESTER | 組成式: | C32 H51 N5 O5 | SMILES: | O=C(OC)C(NC(=O)C(NC(=O)C(N1CCC(=CC(C1)Cc2ccccc2)C(NC(=O)C(N)C)C)C)C(C)C)C(C)C | InChi: | InChI=1S/C32H51N5O5/c1-19(2)27(31(40)36-28(20(3)4)32(41)42-8)35-30(39)23(7)37-15-14-26(22(6)34-29(38)21(5)33)17-25(18-37)16-24-12-10-9-11-13-24/h9-13,17,19-23,25,27-28H,14-16,18,33H2,1-8H3,(H,34,38)(H,35,39)(H,36,40)/t21-,22-,23-,25+,27-,28-/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | methyl N-[(2S)-2-{(3R)-5-[(1S)-1-(L-alanylamino)ethyl]-3-benzyl-2,3,6,7-tetrahydro-1H-azepin-1-yl}propanoyl]-L-valyl-L-valinate |
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![T16 T16](https://data.pdbj.org/pdbjplus/data/cc/svg/T16.svg) | T16 | 表記: | BOROLOG2 | 組成式: | C23 H32 B Br2 N3 O6 | SMILES: | O=C(NC(B(O)O)CCC(Br)Br)C2N(C(=O)C(NC(=O)CCCC=O)Cc1ccccc1)CCC2 | InChi: | InChI=1S/C23H32BBr2N3O6/c25-20(26)12-11-19(24(34)35)28-22(32)18-9-6-13-29(18)23(33)17(15-16-7-2-1-3-8-16)27-21(31)10-4-5-14-30/h1-3,7-8,14,17-20,34-35H,4-6,9-13,15H2,(H,27,31)(H,28,32)/t17-,18-,19-/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | N-(5-oxopentanoyl)-L-phenylalanyl-N-[(1R)-4,4-dibromo-1-(dihydroxyboranyl)butyl]-L-prolinamide |
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![T18 T18](https://data.pdbj.org/pdbjplus/data/cc/svg/T18.svg) | T18 | 表記: | N-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide | 組成式: | C25 H19 F2 N3 O6 S2 | SMILES: | Fc1ccc(cc1)CN4c5ccc(F)cc5C(O)=C(C=3Nc2c(cc(cc2)NS(=O)(=O)C)S(=O)(=O)C=3)C4=O | InChi: | InChI=1S/C25H19F2N3O6S2/c1-37(33,34)29-17-7-8-19-22(11-17)38(35,36)13-20(28-19)23-24(31)18-10-16(27)6-9-21(18)30(25(23)32)12-14-2-4-15(26)5-3-14/h2-11,13,28-29,31H,12H2,1H3 | 定義日: | 2009-02-26 | 最終更新日: | 2011-06-04 | 識別子(ID): | N-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide |
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![GD9 GD9](https://data.pdbj.org/pdbjplus/data/cc/svg/GD9.svg) | GD9 | 表記: | 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine | 組成式: | C23 H27 N7 O3 S2 | SMILES: | O=S(=O)(N1CCN(CC1)Cc3sc2c(nc(nc2c3)c5cccc4nncc45)N6CCOCC6)C | InChi: | InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) | 定義日: | 2008-06-03 | 最終更新日: | 2011-06-04 | 識別子(ID): | 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidine |
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![T29 T29](https://data.pdbj.org/pdbjplus/data/cc/svg/T29.svg) | T29 | 表記: | TRI166 (BIFUNCTIONAL BORONATE INHIBITOR) | 組成式: | C22 H34 B N5 O5 S | SMILES: | O=C(NC(B(O)O)CCCSC(=[N@H])N)C2N(C(=O)C(NC(=O)CC)Cc1ccccc1)CCC2 | InChi: | InChI=1S/C22H34BN5O5S/c1-2-19(29)26-16(14-15-8-4-3-5-9-15)21(31)28-12-6-10-17(28)20(30)27-18(23(32)33)11-7-13-34-22(24)25/h3-5,8-9,16-18,32-33H,2,6-7,10-14H2,1H3,(H3,24,25)(H,26,29)(H,27,30)/t16-,17+,18+/m1/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | N-propanoyl-D-phenylalanyl-N-[(1R)-4-(carbamimidoylsulfanyl)-1-(dihydroxyboranyl)butyl]-L-prolinamide |
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![T42 T42](https://data.pdbj.org/pdbjplus/data/cc/svg/T42.svg) | T42 | 表記: | MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACID | 組成式: | C30 H39 B N4 O7 | SMILES: | O=C(NC(B(O)O)CCCOC)c1cccn1C(=O)C(NC(O)N2CCOCC2)C(c3ccccc3)c4ccccc4 | InChi: | InChI=1S/C30H39BN4O7/c1-41-19-9-15-25(31(39)40)32-28(36)24-14-8-16-35(24)29(37)27(33-30(38)34-17-20-42-21-18-34)26(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-8,10-14,16,25-27,30,33,38-40H,9,15,17-21H2,1H3,(H,32,36)/t25-,27+,30-/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | [(1R)-1-{[(1-{N-[(S)-hydroxy(morpholin-4-yl)methyl]-beta-phenyl-D-phenylalanyl}-1H-pyrrol-2-yl)carbonyl]amino}-4-methoxybutyl]boronic acid |
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![GG1 GG1](https://data.pdbj.org/pdbjplus/data/cc/svg/GG1.svg) | GG1 | 表記: | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID | 組成式: | C26 H20 N2 O4 | SMILES: | O=C(O)c1ccc(cc1)CN4C(=O)c3c(ccc(C#CCc2ccccc2)c3)N(C4=O)C | InChi: | InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31) | 定義日: | 2007-03-01 | 最終更新日: | 2011-06-04 | 識別子(ID): | 4-{[1-methyl-2,4-dioxo-6-(3-phenylprop-1-yn-1-yl)-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzoic acid |
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![C28 C28](https://data.pdbj.org/pdbjplus/data/cc/svg/C28.svg) | C28 | 表記: | N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(MORPHOLIN-4-YLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE | 組成式: | C19 H26 F4 N4 O4 S | SMILES: | O=S(=O)(N1CCOCC1)CC(C(=O)NC2(CN)CC2)NC(c3ccc(F)cc3)C(F)(F)F | InChi: | InChI=1S/C19H26F4N4O4S/c20-14-3-1-13(2-4-14)16(19(21,22)23)25-15(17(28)26-18(12-24)5-6-18)11-32(29,30)27-7-9-31-10-8-27/h1-4,15-16,25H,5-12,24H2,(H,26,28)/t15-,16-/m0/s1 | 定義日: | 2006-02-03 | 最終更新日: | 2011-06-04 | 識別子(ID): | N-[1-(aminomethyl)cyclopropyl]-3-(morpholin-4-ylsulfonyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alaninamide |
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![C47 C47](https://data.pdbj.org/pdbjplus/data/cc/svg/C47.svg) | C47 | 表記: | METHYL (3R)-1-[(5S,6S,8R)-5-AMINO-9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL-9-OXO-NONANOYL]-3,4-DIHYDRO-2H-QUINOLINE-3-CARBOXYLATE | 組成式: | C27 H43 N3 O5 | SMILES: | O=C(NCCCC)C(C)CC(O)C(N)CC(C)(C)CC(=O)N2c1ccccc1CC(C(=O)OC)C2 | InChi: | InChI=1S/C27H43N3O5/c1-6-7-12-29-25(33)18(2)13-23(31)21(28)15-27(3,4)16-24(32)30-17-20(26(34)35-5)14-19-10-8-9-11-22(19)30/h8-11,18,20-21,23,31H,6-7,12-17,28H2,1-5H3,(H,29,33)/t18-,20-,21+,23+/m1/s1 | 定義日: | 2007-05-22 | 最終更新日: | 2011-06-04 | 識別子(ID): | methyl (3R)-1-[(5S,6S,8R)-5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxononanoyl]-1,2,3,4-tetrahydroquinoline-3-carboxylate |
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![C52 C52](https://data.pdbj.org/pdbjplus/data/cc/svg/C52.svg) | C52 | 表記: | 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one | 組成式: | C21 H15 F3 N4 O | SMILES: | FC(F)(F)c1cc(ccc1)N2C=CC(=C(C2=O)c4cc3cnc(nc3cc4)N)C | InChi: | InChI=1S/C21H15F3N4O/c1-12-7-8-28(16-4-2-3-15(10-16)21(22,23)24)19(29)18(12)13-5-6-17-14(9-13)11-26-20(25)27-17/h2-11H,1H3,(H2,25,26,27) | 定義日: | 2008-04-01 | 最終更新日: | 2011-06-04 | 識別子(ID): | 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one |
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![TAC TAC](https://data.pdbj.org/pdbjplus/data/cc/svg/TAC.svg) | TAC | 表記: | TETRACYCLINE | 組成式: | C22 H24 N2 O8 | SMILES: | O=C3C2=C(O)C1(O)C(=O)C(=C(O)C(N(C)C)C1CC2C(O)(c4cccc(O)c34)C)C(=O)N | InChi: | InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
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![TAQ TAQ](https://data.pdbj.org/pdbjplus/data/cc/svg/TAQ.svg) | TAQ | 表記: | 2,4,6-TRIAMINOQUINAZOLINE | 組成式: | C8 H9 N5 | SMILES: | n2c1c(cc(cc1)N)c(nc2N)N | InChi: | InChI=1S/C8H9N5/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,9H2,(H4,10,11,12,13) | 定義日: | 2004-06-02 | 最終更新日: | 2011-06-04 | 識別子(ID): | quinazoline-2,4,6-triamine |
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![C8D C8D](https://data.pdbj.org/pdbjplus/data/cc/svg/C8D.svg) | C8D | 表記: | N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE | 組成式: | C29 H40 B N4 O8 | SMILES: | O=C(N3C(C(=O)NC(B([O-])O)CCO)CC(Oc1nccc2c1cccc2)C3)C(NC(=O)OC4CCCC4)C(C)(C)C | InChi: | InChI=1S/C29H40BN4O8/c1-29(2,3)24(33-28(38)42-19-9-5-6-10-19)27(37)34-17-20(16-22(34)25(36)32-23(13-15-35)30(39)40)41-26-21-11-7-4-8-18(21)12-14-31-26/h4,7-8,11-12,14,19-20,22-24,35,39H,5-6,9-10,13,15-17H2,1-3H3,(H,32,36)(H,33,38)/q-1/t20-,22+,23+,24-/m1/s1 | 定義日: | 2010-04-23 | 最終更新日: | 2011-06-04 | 識別子(ID): | N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-{(1R)-3-hydroxy-1-[hydroxy(oxido)boranyl]propyl}-4-(isoquinolin-1-yloxy)-L-prolinamide |
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![C90 C90](https://data.pdbj.org/pdbjplus/data/cc/svg/C90.svg) | C90 | 表記: | N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide | 組成式: | C24 H27 N3 O5 | SMILES: | O=C(NO)C(NC(=O)c3ccc(C#Cc1ccc(cc1)CN2CCOCC2)cc3)C(O)C | InChi: | InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1 | 定義日: | 2007-08-16 | 最終更新日: | 2011-06-04 | 識別子(ID): | N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide |
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![TBE TBE](https://data.pdbj.org/pdbjplus/data/cc/svg/TBE.svg) | TBE | 表記: | TAZOBACTAM INTERMEDIATE | 組成式: | C10 H14 N4 O5 S | SMILES: | O=S(=O)C(Cn1nncc1)(C)C(C(=O)O)N/C=CC=O | InChi: | InChI=1S/C10H14N4O5S/c1-10(20(18)19,7-14-5-4-12-13-14)8(9(16)17)11-3-2-6-15/h2-6,8,11,20H,7H2,1H3,(H,16,17)/b3-2-/t8-,10-/m0/s1 | 定義日: | 2004-07-28 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3S)-3-(dioxidosulfanyl)-N-[(1Z)-3-oxoprop-1-en-1-yl]-4-(1H-1,2,3-triazol-1-yl)-D-valine |
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![TBI TBI](https://data.pdbj.org/pdbjplus/data/cc/svg/TBI.svg) | TBI | 表記: | TAZOBACTAM TRANS-ENAMINE INTERMEDIATE | 組成式: | C10 H14 N4 O5 S | SMILES: | O=S(=O)C(Cn1nncc1)(C)C(C(=O)O)NC=CC=O | InChi: | InChI=1S/C10H14N4O5S/c1-10(20(18)19,7-14-5-4-12-13-14)8(9(16)17)11-3-2-6-15/h2-6,8,11,20H,7H2,1H3,(H,16,17)/b3-2+/t8-,10-/m0/s1 | 定義日: | 2003-11-20 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3S)-3-(dioxidosulfanyl)-N-[(1E)-3-oxoprop-1-en-1-yl]-4-(1H-1,2,3-triazol-1-yl)-D-valine |
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![C9A C9A](https://data.pdbj.org/pdbjplus/data/cc/svg/C9A.svg) | C9A | 表記: | 4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate | 組成式: | C30 H29 Cl F N3 O5 S | SMILES: | O=S(=O)(c1ccc(cc1)CN4c2cc(c(F)cc2C(=O)C(C(=O)OCc3ccc(Cl)cc3)=C4)N5CCN(C)CC5)C | InChi: | InChI=1S/C30H29ClFN3O5S/c1-33-11-13-34(14-12-33)28-16-27-24(15-26(28)32)29(36)25(30(37)40-19-21-3-7-22(31)8-4-21)18-35(27)17-20-5-9-23(10-6-20)41(2,38)39/h3-10,15-16,18H,11-14,17,19H2,1-2H3 | 定義日: | 2010-11-04 | 最終更新日: | 2011-06-04 | 識別子(ID): | 4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate |
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![TCL TCL](https://data.pdbj.org/pdbjplus/data/cc/svg/TCL.svg) | TCL | 表記: | TRICLOSAN | 組成式: | C12 H7 Cl3 O2 | SMILES: | Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O | InChi: | InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | 5-chloro-2-(2,4-dichlorophenoxy)phenol |
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![CAB CAB](https://data.pdbj.org/pdbjplus/data/cc/svg/CAB.svg) | CAB | 表記: | 4,4-dihydroxy-5-oxo-L-norvaline | 組成式: | C5 H9 N O5 | SMILES: | O=CC(O)(O)CC(C(=O)O)N | InChi: | InChI=1S/C5H9NO5/c6-3(4(8)9)1-5(10,11)2-7/h2-3,10-11H,1,6H2,(H,8,9)/t3-/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | 4,4-dihydroxy-5-oxo-L-norvaline |
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![TCR TCR](https://data.pdbj.org/pdbjplus/data/cc/svg/TCR.svg) | TCR | 表記: | CYCLOMETHYLTRYPTOPHAN | 組成式: | C12 H12 N2 O2 | SMILES: | O=C(O)C3NCc1c(c2c(n1)cccc2)C3 | InChi: | InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)/t10-/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3S)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid |
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![TDC TDC](https://data.pdbj.org/pdbjplus/data/cc/svg/TDC.svg) | TDC | 表記: | 5A,6-ANHYDROTETRACYCLINE | 組成式: | C22 H22 N2 O7 | SMILES: | O=C(N)C3=C(O)C(N(C)C)C4Cc2c(c1cccc(O)c1c(O)c2C(=O)C4(O)C3=O)C | InChi: | InChI=1S/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-27,31H,7H2,1-3H3,(H2,23,30)/t11-,16-,22-/m0/s1 | 定義日: | 2008-01-02 | 最終更新日: | 2011-06-04 | 識別子(ID): | (4S,4aS,12aS)-4-(dimethylamino)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide |
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![CB3 CB3](https://data.pdbj.org/pdbjplus/data/cc/svg/CB3.svg) | CB3 | 表記: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | 組成式: | C24 H23 N5 O6 | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)N(CC#C)Cc2ccc3NC(=NC(=O)c3c2)N)CCC(=O)O | InChi: | InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | N-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)carbonyl]-L-glutamic acid |
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