 | | 6MK | | 表記: | (2E)-4-[N'-(4-benzyl-pyridine-3-carbonyl)-hydrazino]-4-oxo-but-2-enoic acid | | 組成式: | C17 H15 N3 O4 | | SMILES: | O=C(c1c(ccnc1)Cc2ccccc2)NNC(=O)C=CC(=O)O | | InChi: | InChI=1S/C17H15N3O4/c21-15(6-7-16(22)23)19-20-17(24)14-11-18-9-8-13(14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,21)(H,20,24)(H,22,23)/b7-6+ | | 別名: | SHF-3 | | 定義日: | 2014-04-09 | | 最終更新日: | 2020-06-17 | | 公開日: | 2014-10-01 | | 識別子（ID）: | (2E)-4-{2-[(4-benzylpyridin-3-yl)carbonyl]hydrazinyl}-4-oxobut-2-enoic acid |
|
 | | JQV | | 表記: | Mycalolide B | | 組成式: | C52 H76 N4 O17 S | | SMILES: | n2c3c1nc(co1)C(C(C(CC(CC(CC(=O)OC(C(C(CC=Cc4nc(c2oc3)co4)OC)C)CC(C(CCC(OC(C(COC)OC)=O)C(C)C(C(C=[C@H]N(C=O)C)C)OC(C)=O)C)OC)O)S)=O)C)OC | | InChi: | InChI=1S/C52H76N4O17S/c1-29(16-17-42(73-52(62)45(66-11)27-63-8)33(5)48(71-34(6)58)30(2)18-19-56(7)28-57)43(65-10)23-44-32(4)41(64-9)14-13-15-46-53-38(25-68-46)50-55-39(26-70-50)51-54-37(24-69-51)49(67-12)31(3)40(60)22-36(74)20-35(59)21-47(61)72-44/h13,15,18-19,24-26,28-33,35-36,41-45,48-49,59,74H,14,16-17,20-23,27H2,1-12H3/b15-13+,19-18+/t29-,30+,31-,32+,33-,35-,36-,41-,42+,43-,44-,45+,48+,49-/m0/s1 | | 別名: | MycB | | 定義日: | 2018-09-17 | | 最終更新日: | 2020-06-17 | | 公開日: | 2018-11-21 | | 識別子（ID）: | (1E,3R,4R,5S,6R,9S,10S)-4-(acetyloxy)-1-[formyl(methyl)amino]-11-[(10S,11R,14S,16R,20S,21R,22S,24E)-16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-14-sulfanyl-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1~2,5~.1~6,9~]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-20-yl]-10-methoxy-3,5,9-trimethylundec-1-en-6-yl (2R)-2,3-dimethoxypropanoate |
|
 | | 6MS | | 表記: | [6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)hexyl]phosphonic acid | | 組成式: | C11 H18 N5 O4 P | | SMILES: | C(CCCCCP(O)(=O)O)n2c1N=C(NC(=O)c1nc2)N | | InChi: | InChI=1S/C11H18N5O4P/c12-11-14-9-8(10(17)15-11)13-7-16(9)5-3-1-2-4-6-21(18,19)20/h7H,1-6H2,(H2,18,19,20)(H3,12,14,15,17) | | 別名: | 9-[7-(phosphonoheptyl]guanine | | 定義日: | 2016-05-09 | | 最終更新日: | 2020-06-17 | | 公開日: | 2016-11-09 | | 識別子（ID）: | [6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)hexyl]phosphonic acid |
|
 | | JS4 | | 表記: | (2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3R,4R,5S)-4-(2-(3-AMINOPROPYLAMINO)ETHOXY)-5-((1R,2R,3S,5R,6S)-3,5-DIAM
INO-2-((2S,3R,4R,5S,6R)-3-AMINO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-2-(
HYDROXYMETHYL)-TETRAHYDROFURAN-3-YLOXY)-TETRAHYDRO-2H-PYRAN-3,4-DIOL | | 組成式: | C28 H57 N7 O14 | | SMILES: | O(C2C(OC1OC(CO)C(O)C(O)C1N)C(N)CC(N)C2O)C4OC(C(OC3OC(CN)C(O)C(O)C3N)C4OCCNCCCN)CO | | InChi: | InChI=1S/C28H57N7O14/c29-2-1-3-35-4-5-43-25-23(48-26-15(33)20(41)18(39)12(7-30)44-26)14(9-37)46-28(25)49-24-17(38)10(31)6-11(32)22(24)47-27-16(34)21(42)19(40)13(8-36)45-27/h10-28,35-42H,1-9,29-34H2/t10-,11+,12+,13-,14-,15-,16-,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+/m1/s1 | | 別名: | 2"-O-[N-(3-(AMINOPROPYL)2-AMINOETHYL]PAROMOMYCIN | | 定義日: | 2005-11-16 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[2-O-{2-[(3-aminopropyl)amino]ethyl}-3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside |
|
 | | JS5 | | 表記: | (2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3R,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R,4R,5S,6R)-3-AMINO-4
,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-2-(HYDROXYMETHYL)-4-(2-((R)-PIPERIDI
N-3-YLMETHYLAMINO)ETHOXY)-TETRAHYDROFURAN-3-YLOXY)-TETRAHYDRO-2H-PYRAN-3,4-DIOL | | 組成式: | C31 H61 N7 O14 | | SMILES: | O(C2C(OC1OC(CO)C(O)C(O)C1N)C(N)CC(N)C2O)C5OC(C(OC3OC(CN)C(O)C(O)C3N)C5OCCNCC4CCCNC4)CO | | InChi: | InChI=1S/C31H61N7O14/c32-7-15-21(42)23(44)18(35)29(47-15)51-26-17(11-40)49-31(28(26)46-5-4-38-9-12-2-1-3-37-8-12)52-27-20(41)13(33)6-14(34)25(27)50-30-19(36)24(45)22(43)16(10-39)48-30/h12-31,37-45H,1-11,32-36H2/t12?,13-,14+,15+,16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+/m1/s1 | | 別名: | 2"-O-[N-(3-(AMINOMETHYL)-PYRIDINE)-2-AMINOETHYL]PAROMOMYCIN | | 定義日: | 2005-11-09 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-2-O-(2-{[(3R)-piperidin-3-ylmethyl]amino}ethyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside |
|
 | | 6O5 | | 表記: | 3-(furan-2-yl)propanoic acid | | 組成式: | C7 H8 O3 | | SMILES: | c1c(occ1)CCC(O)=O | | InChi: | InChI=1S/C7H8O3/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9) | | 別名: | MB605 | | 定義日: | 2015-07-21 | | 最終更新日: | 2020-06-17 | | 公開日: | 2015-08-12 | | 識別子（ID）: | 3-(furan-2-yl)propanoic acid |
|
 | | 6O7 | | 表記: | Plicamycin, mithramycin analogue MTM SA-Phe | | 組成式: | C59 H81 N O24 | | SMILES: | C1(Cc8c(C(=O)C1OC2OC(C)C(C(C2)OC3OC(C)C(O)C(C3)OC4OC(C)C(O)C(O)(C4)C)O)c(c7c(c(C)c(OC5OC(C)C(O)C(C5)OC6CC(C(C(O6)C)O)O)cc7c8)O)O)C(OC)C(NC(C(OC)=O)Cc9ccccc9)=O | | InChi: | InChI=1S/C59H81NO24/c1-24-36(80-41-20-37(49(64)26(3)76-41)81-40-19-35(61)48(63)25(2)75-40)18-32-16-31-17-33(55(73-8)57(70)60-34(58(71)74-9)15-30-13-11-10-12-14-30)54(53(68)46(31)52(67)45(32)47(24)62)84-43-22-38(50(65)28(5)78-43)82-42-21-39(51(66)27(4)77-42)83-44-23-59(7,72)56(69)29(6)79-44/h10-14,16,18,25-29,33-35,37-44,48-51,54-56,61-67,69,72H,15,17,19-23H2,1-9H3,(H,60,70)/t25-,26-,27-,28-,29-,33-,34+,35-,37-,38-,39-,40+,41+,42+,43+,44+,48-,49-,50-,51+,54+,55+,56-,59+/m1/s1 | | 別名: | methyl
(2S)-2-({(2S)-2-[(2R,3S)-3-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-p
yran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-{[(2S,4
R,5R,6R)-4-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-y
l]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-2-methoxyacetyl}amino)-3-phenylpropanoate (non-preferred name) | | 定義日: | 2016-05-12 | | 最終更新日: | 2020-06-17 | | 公開日: | 2016-09-14 | | 識別子（ID）: | methyl (2S)-2-({(2S)-2-[(2R,3S)-3-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-2-methoxyacetyl}amino)-3-phenylpropanoate (non-preferred name) |
|
 | | JST | | 表記: | BUT-3-ENYL-[5-(4-CHLORO-PHENYL)-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-YLIDENE]-AMINE | | 組成式: | C13 H14 Cl N3 S | | SMILES: | Clc2ccc(C1=NNC(=N/CCC=C)/SC1)cc2 | | InChi: | InChI=1S/C13H14ClN3S/c1-2-3-8-15-13-17-16-12(9-18-13)10-4-6-11(14)7-5-10/h2,4-7H,1,3,8-9H2,(H,15,17) | | 別名: | N-ALLYL-5-(4-CHLORO-PHENYL)-6H-1,3,4-THIADIAZIN-2-AMINE | | 定義日: | 2001-07-05 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N-[(2Z)-5-(4-chlorophenyl)-3,6-dihydro-2H-1,3,4-thiadiazin-2-ylidene]but-3-en-1-amine |
|
 | | JSW | | 表記: | [(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone | | 組成式: | C18 H21 F2 N5 O2 | | SMILES: | Cc1oc(nn1)N2CCC(CC2)C(=O)N3NCC[CH]3c4cc(F)cc(F)c4 | | InChi: | InChI=1S/C18H21F2N5O2/c1-11-22-23-18(27-11)24-6-3-12(4-7-24)17(26)25-16(2-5-21-25)13-8-14(19)10-15(20)9-13/h8-10,12,16,21H,2-7H2,1H3/t16-/m0/s1 | | 別名: | DHP77 | | 定義日: | 2019-03-25 | | 最終更新日: | 2020-06-17 | | 公開日: | 2019-05-01 | | 識別子（ID）: | [(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone |
|
 | | 6OX | | 表記: | 2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-(hydroxymethyl)-5-methylsulfonyl-phenyl]
phenyl]imidazol-4-yl]propan-2-ol | | 組成式: | C29 H28 Cl2 F2 N2 O4 S | | SMILES: | CC(C)(O)c1cn(c2ccc(cc2F)c3cc(F)c(CO)c(c3)[S](C)(=O)=O)c(n1)C(C)(C)c4c(Cl)cccc4Cl | | InChi: | InChI=1S/C29H28Cl2F2N2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-22(23)33)17-12-21(32)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3 | | 別名: | BMS-852927 | | 定義日: | 2016-05-17 | | 最終更新日: | 2020-06-17 | | 公開日: | 2016-11-02 | | 識別子（ID）: | 2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-(hydroxymethyl)-5-methylsulfonyl-phenyl]phenyl]imidazol-4-yl]propan-2-ol |
|
 | | 6PC | | 表記: | PYRIDINE-2-CARBOXYLIC ACID | | 組成式: | C6 H5 N O2 | | SMILES: | O=C(O)c1ncccc1 | | InChi: | InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9) | | 別名: | PICOLINIC ACID | | 定義日: | 2006-05-23 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | pyridine-2-carboxylic acid |
|
 | | 6Q1 | | 表記: | 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te
traazacyclotetradecin-8(3H)-one | | 組成式: | C26 H35 N7 O | | SMILES: | c1cc(ccc1CN2CCN(C)CC2)c3cn4c5c3cnc(NCCCCC(NCCC4)=O)n5 | | InChi: | InChI=1S/C26H35N7O/c1-31-13-15-32(16-14-31)18-20-6-8-21(9-7-20)23-19-33-12-4-11-27-24(34)5-2-3-10-28-26-29-17-22(23)25(33)30-26/h6-9,17,19H,2-5,10-16,18H2,1H3,(H,27,34)(H,28,29,30) | | 別名: | UNC2434 | | 定義日: | 2016-05-19 | | 最終更新日: | 2020-06-17 | | 公開日: | 2017-01-11 | | 識別子（ID）: | 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]tetraazacyclotetradecin-8(3H)-one |
|
 | | JUG | | 表記: | 5-hydroxynaphthalene-1,4-dione | | 組成式: | C10 H6 O3 | | SMILES: | O=C2c1c(c(O)ccc1)C(=O)C=C2 | | InChi: | InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H | | 別名: | Juglone | | 定義日: | 2007-11-01 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 5-hydroxynaphthalene-1,4-dione |
|
 | | 6QF | | 表記: | phenazin-1-ol | | 組成式: | C12 H8 N2 O | | SMILES: | Oc1cccc2nc3ccccc3nc12 | | InChi: | InChI=1S/C12H8N2O/c15-11-7-3-6-10-12(11)14-9-5-2-1-4-8(9)13-10/h1-7,15H | | 別名: | 1-hydroxyphenazine | | 定義日: | 2016-05-23 | | 最終更新日: | 2020-06-17 | | 公開日: | 2016-12-07 | | 識別子（ID）: | phenazin-1-ol |
|
 | | JUV | | 表記: | (2R)-3-(4-hydroxyphenyl)-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanoic acid | | 組成式: | C18 H16 O6 | | SMILES: | c2cc([C@H]=[C@H]C(=O)OC(C(O)=O)Cc1ccc(cc1)O)ccc2O | | InChi: | InChI=1S/C18H16O6/c19-14-6-1-12(2-7-14)5-10-17(21)24-16(18(22)23)11-13-3-8-15(20)9-4-13/h1-10,16,19-20H,11H2,(H,22,23)/b10-5+/t16-/m1/s1 | | 別名: | 4-coumaroyl-(R)-3-(4-hydroxyphenyl)lactate | | 定義日: | 2018-09-25 | | 最終更新日: | 2020-06-17 | | 公開日: | 2019-09-11 | | 識別子（ID）: | (2R)-3-(4-hydroxyphenyl)-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanoic acid |
|
 | | 0VR | | 表記: | 1-(O-carboxy-phenylamino)-1-deoxy-D-ribulose-5-phosphate | | 組成式: | C12 H18 N O9 P | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)CNc1ccccc1C(=O)O | | InChi: | InChI=1S/C12H18NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-4,9-11,13-16H,5-6H2,(H,17,18)(H2,19,20,21)/t9-,10+,11-/m0/s1 | | 別名: | 1-[(2-carboxyphenyl)amino]-1-deoxy-5-O-phosphono-D-ribitol | | 定義日: | 2012-07-13 | | 最終更新日: | 2020-06-17 | | 公開日: | 2012-11-30 | | 識別子（ID）: | 1-[(2-carboxyphenyl)amino]-1-deoxy-5-O-phosphono-D-ribitol |
|
 | | 0WN | | 表記: | N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide | | 組成式: | C24 H27 Cl F N5 O3 | | SMILES: | Fc1ccc(cc1Cl)Nc4ncnc3cc(OC2CCOC2)c(cc34)NC(=O)CCCN(C)C | | InChi: | InChI=1S/C24H27ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h5-6,10-12,14,16H,3-4,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/t16-/m0/s1 | | 別名: | Afatinib, bound form | | 定義日: | 2012-07-27 | | 最終更新日: | 2020-06-17 | | 公開日: | 2012-08-24 | | 識別子（ID）: | N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide |
|
 | | 0WU | | 表記: | (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one | | 組成式: | C10 H14 O | | SMILES: | O=C1C(=CCC(C(=C)C)C1)C | | InChi: | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1 | | 別名: | S-carvone | | 定義日: | 2012-08-03 | | 最終更新日: | 2020-06-17 | | 公開日: | 2012-08-24 | | 識別子（ID）: | (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one |
|
 | | JXG | | 表記: | (2S,5R)-1-formyl-3-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide | | 組成式: | C8 H13 N3 O6 S | | SMILES: | OS(=O)(=O)ONC1CN(C(C(=C1)C)C(=O)N)C=O | | InChi: | InChI=1S/C8H13N3O6S/c1-5-2-6(10-17-18(14,15)16)3-11(4-12)7(5)8(9)13/h2,4,6-7,10H,3H2,1H3,(H2,9,13)(H,14,15,16)/t6-,7+/m1/s1 | | 別名: | ETX2514 bound form | | 定義日: | 2018-10-09 | | 最終更新日: | 2020-06-17 | | 公開日: | 2019-02-27 | | 識別子（ID）: | (2S,5R)-1-formyl-3-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide |
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 | | JYD | | 表記: | (2S)-2-sulfanylbutanedioic acid | | 組成式: | C4 H6 O4 S | | SMILES: | C(C(=O)O)C(S)C(O)=O | | InChi: | InChI=1S/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)/t2-/m0/s1 | | 別名: | thiomalate | | 定義日: | 2018-10-18 | | 最終更新日: | 2020-06-17 | | 公開日: | 2019-01-30 | | 識別子（ID）: | (2S)-2-sulfanylbutanedioic acid |
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 | | 0Z6 | | 表記: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide | | 組成式: | C25 H36 Cl N6 O3 | | SMILES: | ClCC(O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)CCCNC(=[NH2+])N | | InChi: | InChI=1S/C25H35ClN6O3/c26-16-22(33)20(12-7-13-30-25(28)29)31-24(35)21(15-18-10-5-2-6-11-18)32-23(34)19(27)14-17-8-3-1-4-9-17/h1-6,8-11,19-22,33H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/p+1/t19-,20+,21+,22-/m1/s1 | | 別名: | FFRCK | | 定義日: | 2008-07-30 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide |
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 | | JZA | | 表記: | 4-[(1,1-dioxido-1,2-thiazetidin-2-yl)carbonyl]morpholine | | 組成式: | C7 H12 N2 O4 S | | SMILES: | O=C(N1CCOCC1)N2CCS2(=O)=O | | InChi: | InChI=1S/C7H12N2O4S/c10-7(8-1-4-13-5-2-8)9-3-6-14(9,11)12/h1-6H2 | | 別名: | beta-sultam | | 定義日: | 2009-08-10 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (1,1-dioxido-1,2-thiazetidin-2-yl)(morpholin-4-yl)methanone |
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 | | 0ZC | | 表記: | (3R)-2-[N-(furan-2-ylcarbonyl)-L-leucyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid | | 組成式: | C23 H25 N3 O5 | | SMILES: | O=C(NC(C(=O)N3C(C(=O)O)Cc2c1ccccc1nc2C3)CC(C)C)c4occc4 | | InChi: | InChI=1S/C23H25N3O5/c1-13(2)10-17(25-21(27)20-8-5-9-31-20)22(28)26-12-18-15(11-19(26)23(29)30)14-6-3-4-7-16(14)24-18/h3-9,13,17,19,24H,10-12H2,1-2H3,(H,25,27)(H,29,30)/t17-,19-/m0/s1 | | 別名: | Furoyl-LeusycloTrp | | 定義日: | 2008-08-05 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (3R)-2-[N-(furan-2-ylcarbonyl)-L-leucyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid |
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 | | 0ZE | | 表記: | [[[(4S,5S)-4-[[(3S,6S,8aR)-6-azanyl-5-oxo-6-(phenylmethyl)-1,2,3,7,8,8a-hexahydroindolizin-3-yl]carbonylamino]-5-(1,3-b
enzothiazol-2-yl)-5-hydroxy-pentyl]amino]-azanyl-methylidene]azanium | | 組成式: | C29 H38 N7 O3 S | | SMILES: | O=C4N1C(CCC1C(=O)NC(CCCNC(=[NH2+])N)C(O)c2nc3ccccc3s2)CCC4(N)Cc5ccccc5 | | InChi: | InChI=1S/C29H37N7O3S/c30-28(31)33-16-6-10-21(24(37)26-35-20-9-4-5-11-23(20)40-26)34-25(38)22-13-12-19-14-15-29(32,27(39)36(19)22)17-18-7-2-1-3-8-18/h1-5,7-9,11,19,21-22,24,37H,6,10,12-17,32H2,(H,34,38)(H4,30,31,33)/p+1/t19-,21+,22+,24+,29+/m1/s1 | | 別名: | MOL-168 | | 定義日: | 2008-08-05 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | amino{[(4S,5S)-4-({[(3S,6S,8aR)-6-amino-6-benzyl-5-oxooctahydroindolizin-3-yl]carbonyl}amino)-5-(1,3-benzothiazol-2-yl)-5-hydroxypentyl]amino}methaniminium (non-preferred name) |
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 | | L86 | | 表記: | (11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19-DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17-BENZOHEXAAZACYCLOHENI
COSINE-3,24-DIONE | | 組成式: | C27 H33 Cl N6 O2 | | SMILES: | O=C3NCc1ccccc1CCNCCCNCC(NC2=NC=C(Cl)N(C2=O)C3)Cc4ccccc4 | | InChi: | InChI=1S/C27H33ClN6O2/c28-24-18-32-26-27(36)34(24)19-25(35)31-16-22-10-5-4-9-21(22)11-14-29-12-6-13-30-17-23(33-26)15-20-7-2-1-3-8-20/h1-5,7-10,18,23,29-30H,6,11-17,19H2,(H,31,35)(H,32,33)/t23-/m0/s1 | | 別名: | COMPOUND 31 | | 定義日: | 2003-01-21 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (11S)-11-benzyl-6-chloro-1,2,10,11,12,13,14,15,16,17,18,19-dodecahydro-5,9-methano-2,5,8,10,13,17-benzohexaazacyclohenicosine-3,24(4H)-dione |
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