| L24 | 表記: | [[[2-AMINO-5,6,7,8-TETRAHYDRO-4-HYDROXY-PYRIDO[2,3-D]PYRIMIDIN-6-YL]-ETHYL]-PHENYL]-CARBONYL-GLUTAMIC ACID | 組成式: | C21 H25 N5 O6 | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)CCC3Cc2c(nc(nc2NC3)N)O)CCC(=O)O | InChi: | InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15-/m0/s1 | 別名: | LY249543 | 定義日: | 1999-12-14 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-[(4-{2-[(6S)-2-amino-4-hydroxy-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}phenyl)carbonyl]-L-glutamic acid |
|
| X0T | 表記: | 7-[(2S)-2,3-DIHYDROXYPROPYL]-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE | 組成式: | C10 H14 N4 O4 | SMILES: | O=C2N(c1ncn(c1C(=O)N2C)CC(O)CO)C | InChi: | InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3/t6-/m0/s1 | 別名: | DIPROPHYLLINE | 定義日: | 2009-12-17 | 最終更新日: | 2020-06-17 | 識別子(ID): | 7-[(2S)-2,3-dihydroxypropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
|
| L27 | 表記: | {1-BENZYL-3-[2-BENZYL-3-OXO-4-(1-OXO-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-4-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL]-2-
HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | 組成式: | C35 H37 N3 O6 | SMILES: | O=C(OC1CCOC1)NC(Cc2ccccc2)C(O)CC3(C(=O)C(=CN3)C5c4ccccc4C(=O)NC5)Cc6ccccc6 | InChi: | InChI=1S/C35H37N3O6/c39-31(30(17-23-9-3-1-4-10-23)38-34(42)44-25-15-16-43-22-25)19-35(18-24-11-5-2-6-12-24)32(40)29(21-37-35)28-20-36-33(41)27-14-8-7-13-26(27)28/h1-14,21,25,28,30-31,37,39H,15-20,22H2,(H,36,41)(H,38,42)/t25-,28+,30-,31-,35-/m0/s1 | 別名: | LDC271 INHIBITOR | 定義日: | 2003-01-22 | 最終更新日: | 2020-06-17 | 識別子(ID): | (3S)-tetrahydrofuran-3-yl [(1S,2S)-1-benzyl-3-{(2S)-2-benzyl-3-oxo-4-[(4R)-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]-2,3-dihydro-1H-pyrrol-2-yl}-2-hydroxypropyl]carbamate |
|
| L2H | 表記: | (12S,27S)-12,27-bis(4-aminobutyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octaazaheptacyclo[26.2.
1.1~2,5~.1~6,9~.1~13,16~.1~17,20~.1~21,24~]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dode
caene-10,25-dione | 組成式: | C32 H34 N10 O8 | SMILES: | O=C5NC(c1nc(c(o1)C)c2oc(c(n2)c3occ(n3)C(=O)NC(c7nc(c4nc(co4)c6nc5co6)co7)CCCCN)C)CCCCN | InChi: | InChI=1S/C32H34N10O8/c1-15-23-31-38-20(12-48-31)26(44)35-17(7-3-5-9-33)27-39-22(13-46-27)29-40-21(14-47-29)28-37-19(11-45-28)25(43)36-18(8-4-6-10-34)30-41-24(16(2)49-30)32(42-23)50-15/h11-14,17-18H,3-10,33-34H2,1-2H3,(H,35,44)(H,36,43)/t17-,18-/m0/s1 | 別名: | Telomestatin derivative | 定義日: | 2013-08-12 | 最終更新日: | 2020-06-17 | 公開日: | 2013-08-28 | 識別子(ID): | (12S,27S)-12,27-bis(4-aminobutyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octaazaheptacyclo[26.2.1.1~2,5~.1~6,9~.1~13,16~.1~17,20~.1~21,24~]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dodecaene-10,25-dione |
|
| L34 | 表記: | 4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI
C ACID | 組成式: | C20 H21 N7 O7 | SMILES: | O=C(O)C(NC(=O)c4ccc(N3C(=O)N2c1c(nc(nc1O)N)NCC2C3)cc4)CCC(=O)O | InChi: | InChI=1S/C20H21N7O7/c21-19-24-15-14(17(31)25-19)27-11(7-22-15)8-26(20(27)34)10-3-1-9(2-4-10)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,11-12H,5-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t11-,12+/m1/s1 | 別名: | LY345899 | 定義日: | 1999-12-15 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-({4-[(6aR)-3-amino-1-hydroxy-9-oxo-5,6,6a,7-tetrahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid |
|
| 5MD | 表記: | 2'-deoxy-1-methyl-pseudouridine | 組成式: | C10 H14 N2 O5 | SMILES: | O=C1N(C=C(C(=O)N1)C2OC(CO)C(O)C2)C | InChi: | InChI=1S/C10H14N2O5/c1-12-3-5(9(15)11-10(12)16)7-2-6(14)8(4-13)17-7/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 | 別名: | 5-METHYL-2'-DEOXYPSEUDOURIDINE | 定義日: | 2000-07-26 | 最終更新日: | 2020-06-17 | 識別子(ID): | (1R)-1,4-anhydro-2-deoxy-1-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-erythro-pentitol |
|
| L4A | 表記: | 2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid | 組成式: | C8 H11 N O5 | SMILES: | c1(oc(c(n1)C(=O)O)CCO)CCO | InChi: | InChI=1S/C8H11NO5/c10-3-1-5-7(8(12)13)9-6(14-5)2-4-11/h10-11H,1-4H2,(H,12,13) | 別名: | Clavulanic Acid, opened form | 定義日: | 2019-02-06 | 最終更新日: | 2020-06-17 | 公開日: | 2019-12-11 | 識別子(ID): | 2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid |
|
| 5N7 | 表記: | (13S,16R)-N-(4-carbamimidoylbenzyl)-16-((N-cyclohexylsulfamoyl)amino)-3,9,15-trioxo-2,10,14-triaza-6(1,4)-piperazina-1,
11(1,4)-dibenzenacycloheptadecaphane-13-carboxamide | 組成式: | C42 H56 N10 O6 S | SMILES: | NC(=N)c1ccc(CNC(=O)[CH]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc5ccc(C[CH](N[S](=O)(=O)NC6CCCCC6)C(=O)N2)cc5)cc3)cc1 | InChi: | InChI=1S/C42H56N10O6S/c43-40(44)32-12-6-31(7-13-32)28-45-41(55)36-26-29-8-14-33(15-9-29)46-38(53)18-20-51-22-24-52(25-23-51)21-19-39(54)47-34-16-10-30(11-17-34)27-37(42(56)48-36)50-59(57,58)49-35-4-2-1-3-5-35/h6-17,35-37,49-50H,1-5,18-28H2,(H3,43,44)(H,45,55)(H,46,53)(H,47,54)(H,48,56)/t36-,37+/m0/s1 | 別名: | MI-133 | 定義日: | 2015-10-27 | 最終更新日: | 2020-06-17 | 公開日: | 2016-07-13 |
|
| L4C | 表記: | (2E)-2-{[(2S)-2-(ACETYLAMINO)-2-CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID | 組成式: | C10 H14 N2 O8 | SMILES: | O=C(O)C(=NOCC(NC(=O)C)C(=O)O)CCC(=O)O | InChi: | InChI=1S/C10H14N2O8/c1-5(13)11-7(10(18)19)4-20-12-6(9(16)17)2-3-8(14)15/h7H,2-4H2,1H3,(H,11,13)(H,14,15)(H,16,17)(H,18,19)/b12-6+/t7-/m0/s1 | 別名: | LACTIVICIN | 定義日: | 2007-01-15 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2E)-2-{[(2S)-2-(acetylamino)-2-carboxyethoxy]imino}pentanedioic acid |
|
| 5NA | 表記: | 2-hydroxy-5-methyl naphthoic acid | 組成式: | C12 H10 O3 | SMILES: | O=C(O)c1c2c(ccc1O)c(ccc2)C | InChi: | InChI=1S/C12H10O3/c1-7-3-2-4-9-8(7)5-6-10(13)11(9)12(14)15/h2-6,13H,1H3,(H,14,15) | 別名: | 2-hydroxy-5-methylnaphthalene-1-carboxylic acid | 定義日: | 2009-07-10 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-hydroxy-5-methylnaphthalene-1-carboxylic acid |
|
| 5NK | 表記: | 2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol | 組成式: | C22 H30 N6 O | SMILES: | Cc1ccc(O)c(Cn2c(NC3CCN(CCN)CC3)nc4c(C)cccc24)n1 | InChi: | InChI=1S/C22H30N6O/c1-15-4-3-5-19-21(15)26-22(25-17-8-11-27(12-9-17)13-10-23)28(19)14-18-20(29)7-6-16(2)24-18/h3-7,17,29H,8-14,23H2,1-2H3,(H,25,26) | 別名: | JNJ-2408068 | 定義日: | 2015-10-27 | 最終更新日: | 2020-06-17 | 公開日: | 2015-12-09 | 識別子(ID): | 2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol |
|
| L4P | 表記: | 3-[GLYCEROLYLPHOSPHONYL]-[1,2-DI-PHYTANYL]GLYCEROL | 組成式: | C46 H95 O8 P | SMILES: | O=P(O)(OCC(O)CO)OCC(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C | InChi: | InChI=1S/C46H95O8P/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-51-35-46(36-54-55(49,50)53-34-45(48)33-47)52-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h37-48H,11-36H2,1-10H3,(H,49,50)/t39-,40?,41-,42?,43-,44-,45-,46+/m1/s1 | 別名: | 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL | 定義日: | 1999-09-22 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2R)-2,3-dihydroxypropyl (2S)-2-{[(3R)-3,7,11,15-tetramethylhexadecyl]oxy}-3-{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl hydrogen (R)-phosphate |
|
| X3J | 表記: | (2S)-2-{2-[(2-AMINOETHYL)AMINO]-2-OXOETHYL}-2-HYDROXYBUTANEDIOIC ACID | 組成式: | C8 H14 N2 O6 | SMILES: | O=C(O)CC(O)(C(=O)O)CC(=O)NCCN | InChi: | InChI=1S/C8H14N2O6/c9-1-2-10-5(11)3-8(16,7(14)15)4-6(12)13/h16H,1-4,9H2,(H,10,11)(H,12,13)(H,14,15)/t8-/m0/s1 | 別名: | 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE | 定義日: | 2010-01-25 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2S)-2-{2-[(2-aminoethyl)amino]-2-oxoethyl}-2-hydroxybutanedioic acid |
|
| 5NP | 表記: | (9~{b}~{R})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one | 組成式: | C21 H15 Cl N4 O2 | SMILES: | Clc1ccc(cc1)[C]23N(CCN2C(=O)c4ccncc34)C(=O)c5cccnc5 | InChi: | InChI=1S/C21H15ClN4O2/c22-16-5-3-15(4-6-16)21-18-13-24-9-7-17(18)20(28)26(21)11-10-25(21)19(27)14-2-1-8-23-12-14/h1-9,12-13H,10-11H2/t21-/m0/s1 | 別名: | BTA-9881 | 定義日: | 2015-10-27 | 最終更新日: | 2020-06-17 | 公開日: | 2015-12-09 | 識別子(ID): | (9~{b}~{R})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one |
|
| 5OD | 表記: | 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine | 組成式: | C16 H19 Cl2 N5 | SMILES: | CC1(N)CCN(CC1)c2cnc(c(N)n2)c3cccc(Cl)c3Cl | InChi: | InChI=1S/C16H19Cl2N5/c1-16(20)5-7-23(8-6-16)12-9-21-14(15(19)22-12)10-3-2-4-11(17)13(10)18/h2-4,9H,5-8,20H2,1H3,(H2,19,22) | 別名: | SHP099 | 定義日: | 2015-10-29 | 最終更新日: | 2020-06-17 | 公開日: | 2016-06-29 | 識別子(ID): | 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine |
|
| 5OP | 表記: | (5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID | 組成式: | C20 H30 O5 | SMILES: | O=C(O)CCC/C=C/CC1C(=O)CC(O)C1C=CC(=O)CCCCC | InChi: | InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4?,13-12+ | 別名: | 15-OXO-PGE2 | 定義日: | 2003-11-11 | 最終更新日: | 2020-06-17 | 識別子(ID): | (8beta,13E)-11-hydroxy-9,15-dioxoprosta-5,13-dien-1-oic acid |
|
| 5OY | 表記: | 5-phosphono-L-norvaline | 組成式: | C5 H12 N O5 P | SMILES: | N[CH](CCC[P](O)(O)=O)C(O)=O | InChi: | InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m0/s1 | 別名: | (2~{S})-2-azanyl-5-phosphono-pentanoic acid | 定義日: | 2015-11-02 | 最終更新日: | 2020-06-17 | 公開日: | 2016-11-09 | 識別子(ID): | (2~{S})-2-azanyl-5-phosphono-pentanoic acid |
|
| 5OZ | 表記: | 2-methylpropanal | 組成式: | C4 H8 O | SMILES: | CC(C)C=O | InChi: | InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3 | 別名: | Isobutyraldehyde | 定義日: | 2015-11-03 | 最終更新日: | 2020-06-17 | 公開日: | 2016-11-16 | 識別子(ID): | 2-methylpropanal |
|
| 5PA | 表記: | N-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-Y-LMETHYL]-1-AMINO-CYCLOPROPANECARBOXYLIC ACID | 組成式: | C12 H17 N2 O7 P | SMILES: | O=C(O)C2(NCc1c(cnc(c1O)C)COP(=O)(O)O)CC2 | InChi: | InChI=1S/C12H17N2O7P/c1-7-10(15)9(5-14-12(2-3-12)11(16)17)8(4-13-7)6-21-22(18,19)20/h4,14-15H,2-3,5-6H2,1H3,(H,16,17)(H2,18,19,20) | 別名: | N-PYRIDOXYL-1-AMINO-CYCLOPROPANECARBOXYLIC ACID-5-MONOPHOSPHATE | 定義日: | 1999-10-21 | 最終更新日: | 2020-06-17 | 識別子(ID): | 1-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopropanecarboxylic acid |
|
| 5PI | 表記: | N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-L-GLUTAMAMIDE | 組成式: | C29 H39 N7 O6 S | SMILES: | O=C(NCc1ccc(C(=[N@H])N)cc1)C(NC(=O)C(NS(=O)(=O)CC)Cc3c2cc(OCCC)ccc2nc3)CCC(=O)N | InChi: | InChI=1S/C29H39N7O6S/c1-3-13-42-21-9-10-23-22(15-21)20(17-33-23)14-25(36-43(40,41)4-2)29(39)35-24(11-12-26(30)37)28(38)34-16-18-5-7-19(8-6-18)27(31)32/h5-10,15,17,24-25,33,36H,3-4,11-14,16H2,1-2H3,(H2,30,37)(H3,31,32)(H,34,38)(H,35,39)/t24-,25+/m0/s1 | 別名: | 2-[2-ETHANESULFONYLAMINO-3-(5-PROPOXY-1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE
1-(4-CARBAMIMIDOYL-BENZYLAMIDE) | 定義日: | 2004-12-17 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-(ethylsulfonyl)-5-propoxy-D-tryptophyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamide |
|
| 5PM | 表記: | 4,4'-sulfanediylbis{N-[(1E)-pyridin-2-ylmethylidene]aniline} | 組成式: | C24 H18 N4 S | SMILES: | N(/c3ccc(Sc2ccc(/N=C/c1ncccc1)cc2)cc3)=Cc4ncccc4 | InChi: | InChI=1S/C24H18N4S/c1-3-15-25-21(5-1)17-27-19-7-11-23(12-8-19)29-24-13-9-20(10-14-24)28-18-22-6-2-4-16-26-22/h1-18H/b27-17+,28-18+ | 別名: | 1,1-Bis(N-(4-phenyl)-2-pyridylcarboxaldimine)thioether | 定義日: | 2009-03-17 | 最終更新日: | 2020-06-17 | 識別子(ID): | 4,4'-sulfanediylbis{N-[(1E)-pyridin-2-ylmethylidene]aniline} |
|
| L7A | 表記: | N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide | 組成式: | C17 H13 N3 O2 | SMILES: | O=C2C(NC(=O)c1ccccc1)=CC(=CN2)c3ccncc3 | InChi: | InChI=1S/C17H13N3O2/c21-16(13-4-2-1-3-5-13)20-15-10-14(11-19-17(15)22)12-6-8-18-9-7-12/h1-11H,(H,19,22)(H,20,21) | 別名: | 3-Benzoylamino-5-(pyridin-4-yl)-(1H)-pyridin-2-one | 定義日: | 2011-05-26 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide |
|
| X6D | 表記: | 6-BROMO-7-[4-(4-CHLOROBENZYL)PIPERAZIN-1-YL]-2-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]-3H-IMIDAZO[4,5-B]PYRIDINE | 組成式: | C28 H30 Br Cl N6 O | SMILES: | Clc1ccc(cc1)CN6CCN(c2c(Br)cnc3nc(nc23)c4ccc(cc4)CN5CCOCC5)CC6 | InChi: | InChI=1S/C28H30BrClN6O/c29-24-17-31-28-25(26(24)36-11-9-34(10-12-36)18-21-3-7-23(30)8-4-21)32-27(33-28)22-5-1-20(2-6-22)19-35-13-15-37-16-14-35/h1-8,17H,9-16,18-19H2,(H,31,32,33) | 別名: | CTT137444 | 定義日: | 2010-02-17 | 最終更新日: | 2020-06-17 | 識別子(ID): | 6-bromo-7-[4-(4-chlorobenzyl)piperazin-1-yl]-2-[4-(morpholin-4-ylmethyl)phenyl]-3H-imidazo[4,5-b]pyridine |
|
| 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 |
|
| X7E | 表記: | (4R)-5-[(S)-(3,4-DIFLUOROPHENYL)(HYDROXY)METHYL]-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-3,4-DIHYDROPYRIMIDINE-2(1H)-THIONE | 組成式: | C19 H18 F2 N2 O2 S | SMILES: | S=C2NC(c1cccc(O)c1)C(=C(N2C)C)C(O)c3ccc(F)c(F)c3 | InChi: | InChI=1S/C19H18F2N2O2S/c1-10-16(18(25)12-6-7-14(20)15(21)9-12)17(22-19(26)23(10)2)11-4-3-5-13(24)8-11/h3-9,17-18,24-25H,1-2H3,(H,22,26)/t17-,18+/m1/s1 | 別名: | (R)-(3,4-DIFLUOROPHENYL)(4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL) | 定義日: | 2010-02-26 | 最終更新日: | 2020-06-17 | 識別子(ID): | (4R)-5-[(S)-(3,4-difluorophenyl)(hydroxy)methyl]-4-(3-hydroxyphenyl)-1,6-dimethyl-3,4-dihydropyrimidine-2(1H)-thione |
|