 | | KU3 | | Name: | (5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone | | Formula: | C19 H17 F N2 O3 | | SMILES: | CC(C)c3cc(C(N1Cc2c(C1)ccc(c2)F)=O)c(O)c4c3onc4 | | InChi: | InChI=1S/C19H17FN2O3/c1-10(2)14-6-15(17(23)16-7-21-25-18(14)16)19(24)22-8-11-3-4-13(20)5-12(11)9-22/h3-7,10,23H,8-9H2,1-2H3 | | Synonyms: | (5-fluoro-1,3-dihydro-2H-isoindol-2-yl)[4-hydroxy-7-(propan-2-yl)-1,2-benzoxazol-5-yl]methanone | | Definition date: | 2017-01-10 | | Last modified: | 2020-06-17 | | Release date: | 2018-01-10 | | Identifier: | (5-fluoro-1,3-dihydro-2H-isoindol-2-yl)[4-hydroxy-7-(propan-2-yl)-1,2-benzoxazol-5-yl]methanone |
|
 | | 114 | | Name: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,8S,8aR)-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]h
eptanoic acid | | Formula: | C23 H36 O6 | | SMILES: | O=C(O)CC(O)CC(O)CCC2C(C=CC1=CCCC(OC(=O)C(C)CC)C12)C | | InChi: | InChI=1S/C23H36O6/c1-4-14(2)23(28)29-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-17(24)12-18(25)13-21(26)27/h6,8-9,14-15,17-20,22,24-25H,4-5,7,10-13H2,1-3H3,(H,26,27)/t14-,15-,17+,18+,19-,20-,22-/m0/s1 | | Synonyms: | Hydrolyzed Compactin | | Definition date: | 2001-01-15 | | Last modified: | 2020-06-17 | | Identifier: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,8S,8aR)-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid |
|
 | | 115 | | Name: | (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | | Formula: | C24 H26 F N O4 | | SMILES: | c12ccccc1n(c(c2c3ccc(cc3)F)C=CC(CC(O)CC(=O)O)O)C(C)C | | InChi: | InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m1/s1 | | Synonyms: | FLUVASTATIN | | Definition date: | 2001-01-16 | | Last modified: | 2020-06-17 | | Identifier: | (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid |
|
 | | 116 | | Name: | 7-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-DIHYDROXY-HEPTANOIC ACID | | Formula: | C26 H36 F N O5 | | SMILES: | O=C(O)CC(O)CC(O)CCc1c(nc(c(c1c2ccc(F)cc2)COC)C(C)C)C(C)C | | InChi: | InChI=1S/C26H36FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-9,15-16,19-20,29-30H,10-14H2,1-5H3,(H,31,32)/t19-,20-/m1/s1 | | Synonyms: | CERIVASTATIN | | Definition date: | 2001-01-16 | | Last modified: | 2020-06-17 | | Identifier: | (3R,5R)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)pyridin-3-yl]-3,5-dihydroxyheptanoic acid |
|
 | | 117 | | Name: | 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID | | Formula: | C33 H35 F N2 O5 | | SMILES: | O=C(O)CC(O)CC(O)CCn2c(c(c(c2c1ccc(F)cc1)c3ccccc3)C(=O)Nc4ccccc4)C(C)C | | InChi: | InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1 | | Synonyms: | ATORVASTATIN | | Definition date: | 2001-01-17 | | Last modified: | 2020-06-17 | | Identifier: | (3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid |
|
 | | 11D | | Name: | 11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid | | Formula: | C23 H34 N2 O4 S | | SMILES: | O=C(O)CCCCCCCCCCNS(=O)(=O)c2cccc1c(cccc12)N(C)C | | InChi: | InChI=1S/C23H34N2O4S/c1-25(2)21-15-11-14-20-19(21)13-12-16-22(20)30(28,29)24-18-10-8-6-4-3-5-7-9-17-23(26)27/h11-16,24H,3-10,17-18H2,1-2H3,(H,26,27) | | Synonyms: | 11-(Dansylamino)undecanoic acid | | Definition date: | 2010-07-20 | | Last modified: | 2020-06-17 | | Identifier: | 11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid |
|
 | | 11F | | Name: | 5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | | Formula: | C22 H22 N4 O | | SMILES: | C(#CC(c2ccc(c1ccccc1)c(OC)c2)C)c3c(nc(nc3C)N)N | | InChi: | InChI=1S/C22H22N4O/c1-14(9-11-18-15(2)25-22(24)26-21(18)23)17-10-12-19(20(13-17)27-3)16-7-5-4-6-8-16/h4-8,10,12-14H,1-3H3,(H4,23,24,25,26)/t14-/m1/s1 | | Synonyms: | 2,4-Diamino-5-[3S-(3-methoxy-4-phenylphenyl)but-1-ynyl]-6-methylpyrimidine | | Definition date: | 2009-01-13 | | Last modified: | 2020-06-17 | | Identifier: | 5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine |
|
 | | 11U | | Name: | (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide | | Formula: | C21 H31 N5 O2 | | SMILES: | O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CNC2CCCCC2)CCC3 | | InChi: | InChI=1S/C21H31N5O2/c22-20(23)16-10-8-15(9-11-16)13-25-21(28)18-7-4-12-26(18)19(27)14-24-17-5-2-1-3-6-17/h8-11,17-18,24H,1-7,12-14H2,(H3,22,23)(H,25,28)/t18-/m0/s1 | | Synonyms: | (2S)-1-[cyclohexylamino)acetyl-N-{4-[amino(imino)methyl]benzyl}pyrrolidine-2-carboxamide | | Definition date: | 2007-12-04 | | Last modified: | 2020-06-17 | | Identifier: | N-cyclohexylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide |
|
 | | 11W | | Name: | (4R)-4-[(2E)-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-en-1-yl]-L-glutamic acid | | Formula: | C20 H21 N3 O4 | | SMILES: | O=C(O)C(N)CC(C(=O)O)C/C=C/c2ccc(/N=N/c1ccccc1)cc2 | | InChi: | InChI=1S/C20H21N3O4/c21-18(20(26)27)13-15(19(24)25)6-4-5-14-9-11-17(12-10-14)23-22-16-7-2-1-3-8-16/h1-5,7-12,15,18H,6,13,21H2,(H,24,25)(H,26,27)/b5-4+,23-22+/t15-,18+/m1/s1 | | Synonyms: | trans-GluAzo | | Definition date: | 2012-10-01 | | Last modified: | 2020-06-17 | | Release date: | 2013-09-25 | | Identifier: | (4R)-4-[(2E)-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-en-1-yl]-L-glutamic acid |
|
 | | KV4 | | Name: | 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)-5'-thioadenosine | | Formula: | C27 H31 Cl N6 O3 S | | SMILES: | C1(OC(C(C1O)O)n3c2ncnc(c2nc3)N)CSCCCCNCc4ccc(cc4)c5ccc(cc5)Cl | | InChi: | InChI=1S/C27H31ClN6O3S/c28-20-9-7-19(8-10-20)18-5-3-17(4-6-18)13-30-11-1-2-12-38-14-21-23(35)24(36)27(37-21)34-16-33-22-25(29)31-15-32-26(22)34/h3-10,15-16,21,23-24,27,30,35-36H,1-2,11-14H2,(H2,29,31,32)/t21-,23-,24-,27-/m1/s1 | | Synonyms: | SGC8158 | | Definition date: | 2019-01-18 | | Last modified: | 2020-06-17 | | Release date: | 2019-01-30 | | Identifier: | 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)-5'-thioadenosine |
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 | | 12J | | Name: | 2-iodo-N-[3-(1-methylethoxy)phenyl]benzamide | | Formula: | C16 H16 I N O2 | | SMILES: | CC(C)Oc1cccc(NC(=O)c2ccccc2I)c1 | | InChi: | InChI=1S/C16H16INO2/c1-11(2)20-13-7-5-6-12(10-13)18-16(19)14-8-3-4-9-15(14)17/h3-11H,1-2H3,(H,18,19) | | Synonyms: | 2-Iodo-N-(3-isopropoxyphenyl)benzamide | | Definition date: | 2010-02-19 | | Last modified: | 2020-06-17 | | Identifier: | 2-iodo-N-(3-propan-2-yloxyphenyl)benzamide |
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 | | KWT | | Name: | (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4,
3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE | | Formula: | C23 H24 O8 | | SMILES: | O=C3c2occ1C(=O)OC(C(c12)(C5=C3C4C(C(=O)CC4)(C)CC5OC(=O)C)C)COC | | InChi: | InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1 | | Synonyms: | [1S-(1A,6BA,9AB,11A,11BB)]-11-(ACETYLOXY)-1,6B,7,8,9A,10,11,11B-OCTAHYDRO-1-(METHOXYMETHLY)
-9A,11B-DIMETHYL-3H-FURO[4,3,2-DE]INDENL[4,5-H]-2-BENZOPYRAN-3,6,9,TRIONE | | Definition date: | 2000-09-11 | | Last modified: | 2020-06-17 | | Identifier: | (1S,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate |
|
 | | 143 | | Name: | S-2,3-DIHYDRO-5-GLYCIN-2-YL-ISOXAZOL-3-YL-CYSTEINE | | Formula: | C8 H13 N3 O5 S | | SMILES: | O=C(O)C(C=1ONC(SCC(N)C(=O)O)C=1)N | | InChi: | InChI=1S/C8H13N3O5S/c9-3(7(12)13)2-17-5-1-4(16-11-5)6(10)8(14)15/h1,3,5-6,11H,2,9-10H2,(H,12,13)(H,14,15)/t3-,5+,6-/m0/s1 | | Synonyms: | 2-AMINO-3-[5-(AMINO-CARBOXY-METHYL)-2,3-DIHYDRO-ISOXAZOL-3-YLSULFANYL]-PROPIONIC ACID | | Definition date: | 2001-09-05 | | Last modified: | 2020-06-17 | | Identifier: | S-{(3R)-5-[(S)-amino(carboxy)methyl]-2,3-dihydroisoxazol-3-yl}-L-cysteine |
|
 | | 155 | | Name: | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-3,4-DIHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE | | Formula: | C24 H24 N4 O | | SMILES: | O=C(c2cc1ccc(C(=[N@H])N)cc1cc2)Nc4ccc3c(C(=NCC3)C(C)C)c4 | | InChi: | InChI=1S/C24H24N4O/c1-14(2)22-21-13-20(8-7-15(21)9-10-27-22)28-24(29)19-6-4-16-11-18(23(25)26)5-3-17(16)12-19/h3-8,11-14H,9-10H2,1-2H3,(H3,25,26)(H,28,29) | | Synonyms: | 6-[N-(1-ISOPROPYL-3,4-DIHYDRO-7-ISOQUINOLINYL)CARBAMYL]-2-NAPHTHALENECARBOXAMIDINE | | Definition date: | 2003-04-09 | | Last modified: | 2020-06-17 | | Identifier: | 6-carbamimidoyl-N-[1-(1-methylethyl)-3,4-dihydroisoquinolin-7-yl]naphthalene-2-carboxamide |
|
 | | 157 | | Name: | 6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE | | Formula: | C12 H22 N2 O2 | | SMILES: | O=CC(CCCCC(=[N@H])N)C1CCCC1O | | InChi: | InChI=1S/C12H22N2O2/c13-12(14)7-2-1-4-9(8-15)10-5-3-6-11(10)16/h8-11,16H,1-7H2,(H3,13,14)/t9-,10+,11-/m0/s1 | | Synonyms: | GR157368 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (1E,6R)-6-[(1R,2S)-2-hydroxycyclopentyl]-7-oxoheptanimidamide |
|
 | | 15M | | Name: | (5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT-1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT-5-ENAMIDE | | Formula: | C25 H37 N O4 | | SMILES: | O=C(NCC)CCC/C=CCC2C(/C=C/C(O)CCc1ccccc1)C(O)CC2O | | InChi: | InChI=1S/C25H37NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-24,27-29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t20-,21+,22+,23-,24+/m0/s1 | | Synonyms: | BIMATOPROST | | Definition date: | 2005-12-07 | | Last modified: | 2020-06-17 | | Identifier: | (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]cyclopentyl}-N-ethylhept-5-enamide |
|
 | | 15U | | Name: | (2R,4R)-4-methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-L-arginyl)piperidine-2-carboxylic
acid | | Formula: | C23 H36 N6 O5 S | | SMILES: | O=C(N1C(C(=O)O)CC(C)CC1)C(NS(=O)(=O)c3cccc2c3NCC(C)C2)CCCNC(=[N@H])N | | InChi: | InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15+,17+,18-/m1/s1 | | Synonyms: | S-argatroban | | Definition date: | 2012-10-16 | | Last modified: | 2020-06-17 | | Release date: | 2013-03-13 | | Identifier: | (2R,4R)-4-methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-L-arginyl)piperidine-2-carboxylic acid |
|
 | | 15W | | Name: | 7-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one | | Formula: | C16 H12 O4 | | SMILES: | O=C1c3c(OC(=C1)c2ccc(OC)cc2)cc(O)cc3 | | InChi: | InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)15-9-14(18)13-7-4-11(17)8-16(13)20-15/h2-9,17H,1H3 | | Synonyms: | 7-hydroxy-4'-methoxyflavone | | Definition date: | 2012-10-18 | | Last modified: | 2020-06-17 | | Release date: | 2012-10-26 | | Identifier: | 7-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one |
|
 | | 166 | | Name: | 6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID | | Formula: | C22 H26 N2 O4 | | SMILES: | O=C(O)C(C2c1cc(ccc1CC2O)c3ccc(O)cc3)CCCCC(=[N@H])N | | InChi: | InChI=1S/C22H26N2O4/c23-20(24)4-2-1-3-17(22(27)28)21-18-11-14(5-6-15(18)12-19(21)26)13-7-9-16(25)10-8-13/h5-11,17,19,21,25-26H,1-4,12H2,(H3,23,24)(H,27,28)/t17-,19+,21+/m1/s1 | | Synonyms: | GR166081 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-7-amino-2-[(1S,2S)-2-hydroxy-6-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]-7-iminoheptanoic acid |
|
 | | KZ9 | | Name: | (S)-4-(3-HYDROXYPHENYL)-2-THIOXO-1,2,3,4,7,8-HEXAHYDROQUINAZOLIN-5(6H)-ONE | | Formula: | C14 H14 N2 O2 S | | SMILES: | O=C3C1=C(NC(=S)NC1c2cccc(O)c2)CCC3 | | InChi: | InChI=1S/C14H14N2O2S/c17-9-4-1-3-8(7-9)13-12-10(15-14(19)16-13)5-2-6-11(12)18/h1,3-4,7,13,17H,2,5-6H2,(H2,15,16,19)/t13-/m0/s1 | | Synonyms: | (4S)-4-(3-hydroxyphenyl)-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one | | Definition date: | 2010-02-26 | | Last modified: | 2020-06-17 | | Identifier: | (4S)-4-(3-hydroxyphenyl)-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one |
|
 | | 16S | | Name: | 2-(3,4-dihydroxyphenyl)-4H-chromen-4-one | | Formula: | C15 H10 O4 | | SMILES: | O=C1c3c(OC(=C1)c2ccc(O)c(O)c2)cccc3 | | InChi: | InChI=1S/C15H10O4/c16-11-6-5-9(7-13(11)18)15-8-12(17)10-3-1-2-4-14(10)19-15/h1-8,16,18H | | Synonyms: | 3',4'-Dihydroxyflavone | | Definition date: | 2012-10-22 | | Last modified: | 2020-06-17 | | Release date: | 2012-10-26 | | Identifier: | 2-(3,4-dihydroxyphenyl)-4H-chromen-4-one |
|
 | | GTF | | Name: | 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate) | | Formula: | C9 H14 F2 N3 O13 P3 | | SMILES: | FC2(F)C(N1C(=O)N=C(N)C=C1)OC(C2O)COP(OP(O)(=O)OP(O)(O)=O)(O)=O | | InChi: | InChI=1S/C9H14F2N3O13P3/c10-9(11)6(15)4(25-7(9)14-2-1-5(12)13-8(14)16)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h1-2,4,6-7,15H,3H2,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1 | | Synonyms: | Gemcitabine-TRIPHOSPHATE | | Definition date: | 2010-04-12 | | Last modified: | 2020-06-17 | | Identifier: | 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate) |
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 | | GTG | | Name: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE | | Formula: | C21 H30 N10 O18 P3 | | SMILES: | O=C1NC(=Nc2c1[n+](cn2C3OC(C(O)C3O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4=O)C(O)C6O)C)N | | InChi: | InChI=1S/C21H29N10O18P3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(47-19)3-45-51(40,41)49-52(42,43)48-50(38,39)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,43)/p+1/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1 | | Synonyms: | MRNA CAP ANALOG N7-METHYL GPPPG | | Definition date: | 2002-11-04 | | Last modified: | 2020-06-17 | | Identifier: | 2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[{[(R)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium (non-preferred name) |
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 | | GTY | | Name: | L-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINE | | Formula: | C18 H33 N3 O6 S | | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSCCCCCCCC | | InChi: | InChI=1S/C18H33N3O6S/c1-2-3-4-5-6-7-10-28-12-14(17(25)20-11-16(23)24)21-15(22)9-8-13(19)18(26)27/h13-14H,2-12,19H2,1H3,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t13-,14-/m0/s1 | | Synonyms: | S-OCTYLGLUTATHIONE | | Definition date: | 2004-08-09 | | Last modified: | 2020-06-17 | | Identifier: | L-gamma-glutamyl-S-octyl-L-cysteinylglycine |
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 | | 17R | | Name: | (2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1H-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine | | Formula: | C20 H19 F4 N5 O2 S | | SMILES: | FC(F)(F)c1cc(F)ccc1N2CC(N(CC2)S(=O)(=O)c4cccc(n3ncnc3)c4)C | | InChi: | InChI=1S/C20H19F4N5O2S/c1-14-11-27(19-6-5-15(21)9-18(19)20(22,23)24)7-8-29(14)32(30,31)17-4-2-3-16(10-17)28-13-25-12-26-28/h2-6,9-10,12-14H,7-8,11H2,1H3/t14-/m1/s1 | | Synonyms: | (R)-1-(3-(1H-1,2,4-triazol-1-yl)phenylsulfonyl)-4-(4-fluoro-2-(trifluoromethyl)phenyl)-2-methylpiperazine | | Definition date: | 2009-05-15 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1H-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine |
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