 | | 5P2 | | Name: | 3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{N}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide | | Formula: | C24 H20 F3 N7 O3 S2 | | SMILES: | CCN1CC(C1)n2nccc2c3cc(ccc3Oc4ccc(cc4C#N)[S](=O)(=O)Nc5sncn5)C(F)(F)F | | InChi: | InChI=1S/C24H20F3N7O3S2/c1-2-33-12-17(13-33)34-20(7-8-30-34)19-10-16(24(25,26)27)3-5-22(19)37-21-6-4-18(9-15(21)11-28)39(35,36)32-23-29-14-31-38-23/h3-10,14,17H,2,12-13H2,1H3,(H,29,31,32) | | Synonyms: | GX-936 | | Definition date: | 2015-11-03 | | Last modified: | 2021-03-01 | | Release date: | 2015-12-23 | | Identifier: | 3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{N}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide |
|
 | | G2H | | Name: | 2-HYDROXY-1-(HYDROXYMETHYL)ETHYL DIHYDROGEN PHOSPHATE | | Formula: | C3 H9 O6 P | | SMILES: | O=P(O)(O)OC(CO)CO | | InChi: | InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8) | | Synonyms: | GLYCEROL-2-PHOSPHATE | | Definition date: | 2004-08-19 | | Last modified: | 2021-03-01 | | Identifier: | 2-hydroxy-1-(hydroxymethyl)ethyl dihydrogen phosphate |
|
 | | G2K | | Name: | 2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide | | Formula: | C25 H25 Cl N4 O5 | | SMILES: | C2(=O)C(O)=C(C(=O)NCCc1ccccc1)N=C(N2)C3CCCN3C(COc4ccccc4Cl)=O | | InChi: | InChI=1S/C25H25ClN4O5/c26-17-9-4-5-11-19(17)35-15-20(31)30-14-6-10-18(30)23-28-21(22(32)25(34)29-23)24(33)27-13-12-16-7-2-1-3-8-16/h1-5,7-9,11,18,32H,6,10,12-15H2,(H,27,33)(H,28,29,34)/t18-/m0/s1 | | Synonyms: | SRI-29843 | | Definition date: | 2017-07-11 | | Last modified: | 2021-03-01 | | Release date: | 2018-01-03 | | Identifier: | 2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide |
|
 | | G2R | | Name: | [(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | | Formula: | C15 H23 N5 O14 P2 | | SMILES: | O=P(O)(OCC1OCC(O)C1O)OP(=O)(O)OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O | | InChi: | InChI=1S/C15H23N5O14P2/c16-15-18-12-8(13(25)19-15)17-4-20(12)14-11(24)10(23)7(33-14)3-32-36(28,29)34-35(26,27)31-2-6-9(22)5(21)1-30-6/h4-7,9-11,14,21-24H,1-3H2,(H,26,27)(H,28,29)(H3,16,18,19,25)/t5-,6+,7+,9-,10-,11+,14+/m0/s1 | | Synonyms: | GUANOSINE DIPHOSPHORIBOSE INTERMEDIATE | | Definition date: | 2006-08-30 | | Last modified: | 2021-03-01 | | Identifier: | [(2R,3R,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
|
 | | 5PN | | Name: | 7-hydroxy-6-methylfuro[3,4-c]pyridin-3(1H)-one | | Formula: | C8 H7 N O3 | | SMILES: | O=C1OCc2c1cnc(c2O)C | | InChi: | InChI=1S/C8H7NO3/c1-4-7(10)6-3-12-8(11)5(6)2-9-4/h2,10H,3H2,1H3 | | Synonyms: | 5-Pyridoxolactone | | Definition date: | 2013-05-08 | | Last modified: | 2021-03-01 | | Release date: | 2014-04-09 | | Identifier: | 7-hydroxy-6-methylfuro[3,4-c]pyridin-3(1H)-one |
|
 | | 5PR | | Name: | 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid | | Formula: | C8 H9 N O4 | | SMILES: | O=C(O)c1cnc(c(O)c1CO)C | | InChi: | InChI=1S/C8H9NO4/c1-4-7(11)6(3-10)5(2-9-4)8(12)13/h2,10-11H,3H2,1H3,(H,12,13) | | Synonyms: | 5-Pyridoxic acid | | Definition date: | 2010-08-09 | | Last modified: | 2021-03-01 | | Identifier: | 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid |
|
 | | 5PU | | Name: | 4-[(2~{R})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid | | Formula: | C13 H15 N O6 | | SMILES: | ONC(=O)CC[CH](Cc1ccc(cc1)C(O)=O)C(O)=O | | InChi: | InChI=1S/C13H15NO6/c15-11(14-20)6-5-10(13(18)19)7-8-1-3-9(4-2-8)12(16)17/h1-4,10,20H,5-7H2,(H,14,15)(H,16,17)(H,18,19)/t10-/m1/s1 | | Synonyms: | JHU242 | | Definition date: | 2015-11-05 | | Last modified: | 2021-03-01 | | Release date: | 2016-04-27 | | Identifier: | 4-[(2~{R})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid |
|
 | | G3K | | Name: | 2-{(2R)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid | | Formula: | C19 H20 Cl N3 O6 | | SMILES: | C1(NC(=NC(=C1O)C(O)=O)C3CCCN3C(=O)C(C)(C)Oc2ccc(Cl)cc2)=O | | InChi: | InChI=1S/C19H20ClN3O6/c1-19(2,29-11-7-5-10(20)6-8-11)18(28)23-9-3-4-12(23)15-21-13(17(26)27)14(24)16(25)22-15/h5-8,12,24H,3-4,9H2,1-2H3,(H,26,27)(H,21,22,25)/t12-/m1/s1 | | Synonyms: | SRI-29782 | | Definition date: | 2017-07-11 | | Last modified: | 2021-03-01 | | Release date: | 2018-01-03 | | Identifier: | 2-{(2R)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid |
|
 | | G3Q | | Name: | R-Talinolol | | Formula: | C20 H33 N3 O3 | | SMILES: | CC(C)(C)NC[CH](O)COc1ccc(NC(=O)NC2CCCCC2)cc1 | | InChi: | InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)/t17-/m1/s1 | | Synonyms: | Talinolol | | Definition date: | 2018-08-23 | | Last modified: | 2021-03-01 | | Release date: | 2019-07-03 | | Identifier: | 1-[4-[(2~{R})-3-(~{tert}-butylamino)-2-oxidanyl-propoxy]phenyl]-3-cyclohexyl-urea |
|
 | | 5R2 | | Name: | 2-Methyl-2-propanyl {(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(3-ethyl-7-methoxy-2-quinoxalinyl)oxy]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclop ropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | | Formula: | C37 H50 N6 O9 S | | SMILES: | CCc1nc2ccc(OC)cc2nc1O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6CC6)NC(=O)OC(C)(C)C | | InChi: | InChI=1S/C37H50N6O9S/c1-6-26-32(39-29-18-23(50-5)14-17-27(29)38-26)51-24-19-30-31(44)41-37(34(46)42-53(48,49)25-15-16-25)20-22(37)12-10-8-7-9-11-13-28(33(45)43(30)21-24)40-35(47)52-36(2,3)4/h10,12,14,17-18,22,24-25,28,30H,6-9,11,13,15-16,19-21H2,1-5H3,(H,40,47)(H,41,44)(H,42,46)/b12-10+/t22-,24+,28-,30-,37+/m0/s1 | | Synonyms: | MK-5172 P1-P3 macrocyclic analogue | | Definition date: | 2015-11-12 | | Last modified: | 2021-03-01 | | Release date: | 2016-01-13 |
|
 | | G4W | | Name: | 6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile | | Formula: | C20 H20 F2 N6 O | | SMILES: | Fc1cc(F)cc(c1)[CH]2CCNN2C(=O)C3CCN(CC3)c4cc(ncn4)C#N | | InChi: | InChI=1S/C20H20F2N6O/c21-15-7-14(8-16(22)9-15)18-1-4-26-28(18)20(29)13-2-5-27(6-3-13)19-10-17(11-23)24-12-25-19/h7-10,12-13,18,26H,1-6H2/t18-/m0/s1 | | Synonyms: | GSK547 | | Definition date: | 2018-08-28 | | Last modified: | 2021-03-01 | | Release date: | 2018-12-12 | | Identifier: | 6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile |
|
 | | 5RS | | Name: | ~{tert}-butyl ~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[(1~{R},2~{R})-1-(cyclopropylsulfonylcarbamoyl)-2-ethyl-cyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxy-quinoxalin-2-yl)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | | Formula: | C36 H52 N6 O9 S | | SMILES: | CC[CH]1C[C]1(NC(=O)[CH]2C[CH](CN2C(=O)[CH](NC(=O)OC(C)(C)C)C(C)(C)C)Oc3nc4cc(OC)ccc4nc3CC)C(=O)N[S](=O)(=O)C5CC5 | | InChi: | InChI=1S/C36H52N6O9S/c1-10-20-18-36(20,32(45)41-52(47,48)23-13-14-23)40-29(43)27-17-22(50-30-24(11-2)37-25-15-12-21(49-9)16-26(25)38-30)19-42(27)31(44)28(34(3,4)5)39-33(46)51-35(6,7)8/h12,15-16,20,22-23,27-28H,10-11,13-14,17-19H2,1-9H3,(H,39,46)(H,40,43)(H,41,45)/t20-,22-,27+,28-,36-/m1/s1 | | Synonyms: | MK-5172 linear analogue | | Definition date: | 2015-11-18 | | Last modified: | 2021-03-01 | | Release date: | 2016-01-13 | | Identifier: | ~{tert}-butyl ~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[(1~{R},2~{R})-1-(cyclopropylsulfonylcarbamoyl)-2-ethyl-cyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxy-quinoxalin-2-yl)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate |
|
 | | G6M | | Name: | 2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide | | Formula: | C16 H19 Cl F N3 O4 | | SMILES: | c1c(c(cc(c1)N2C(=O)OC(C2)CNC(CCl)=O)F)N3CCOCC3 | | InChi: | InChI=1S/C16H19ClFN3O4/c17-8-15(22)19-9-12-10-21(16(23)25-12)11-1-2-14(13(18)7-11)20-3-5-24-6-4-20/h1-2,7,12H,3-6,8-10H2,(H,19,22)/t12-/m0/s1 | | Synonyms: | oxazolidinone antibiotic LZD-6 | | Definition date: | 2018-05-10 | | Last modified: | 2021-03-01 | | Release date: | 2019-03-20 | | Identifier: | 2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide |
|
 | | 5TR | | Name: | [(2~{E},6~{E},10~{E},14~{E},18~{Z},22~{E},26~{Z},30~{E},34~{E},38~{E})-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] dihydrogen phosphate | | Formula: | C55 H91 O4 P | | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(O)=O | | InChi: | InChI=1S/C55H91O4P/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-59-60(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H2,56,57,58)/b46-25+,47-27+,48-29+,49-31-,50-33+,51-35-,52-37+,53-39+,54-41+,55-43+ | | Synonyms: | Undecaprenyl phosphate | | Definition date: | 2015-11-30 | | Last modified: | 2021-03-01 | | Release date: | 2016-02-17 | | Identifier: | [(2~{E},6~{E},10~{E},14~{E},18~{Z},22~{E},26~{Z},30~{E},34~{E},38~{E})-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] dihydrogen phosphate |
|
 | | 5VO | | Name: | 6-oxidanylidene-6-phenyl-hexanoic acid | | Formula: | C12 H14 O3 | | SMILES: | OC(=O)CCCCC(=O)c1ccccc1 | | InChi: | InChI=1S/C12H14O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,15) | | Synonyms: | 5-Benzoylpentanoic Acid | | Definition date: | 2015-12-10 | | Last modified: | 2021-03-01 | | Release date: | 2015-12-23 | | Identifier: | 6-oxidanylidene-6-phenyl-hexanoic acid |
|
 | | 5VQ | | Name: | 2-Propen-1-ol | | Formula: | C3 H6 O | | SMILES: | OCC=C | | InChi: | InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2 | | Synonyms: | allyl alcohol | | Definition date: | 2015-12-11 | | Last modified: | 2021-03-01 | | Release date: | 2016-04-06 | | Identifier: | prop-2-en-1-ol |
|
 | | G90 | | Name: | 2-[(2S)-3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile | | Formula: | C22 H25 N3 O2 | | SMILES: | N#Cc3ccccc3OCC(O)CNC(C)(C)Cc2c1ccccc1nc2 | | InChi: | InChI=1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3/t18-/m0/s1 | | Synonyms: | BUCINDOLOL | | Definition date: | 2012-03-11 | | Last modified: | 2021-03-01 | | Identifier: | 2-{[(2S)-2-hydroxy-3-{[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino}propyl]oxy}benzonitrile |
|
 | | G9A | | Name: | (2E)-pent-2-enedioic acid | | Formula: | C5 H6 O4 | | SMILES: | O=C(O)C=CCC(=O)O | | InChi: | InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+ | | Synonyms: | Glutaconic acid | | Definition date: | 2014-08-12 | | Last modified: | 2021-03-01 | | Release date: | 2014-09-24 | | Identifier: | (2E)-pent-2-enedioic acid |
|
 | | GAH | | Name: | N-{[(2S)-1-(N-{[4-({[AMINO(IMINO)METHYL]AMINO}METHYL)CYCLOHEXYL]CARBONYL}-3-CYCLOHEXYL-L-ALANYL)AZETIDIN-2-YL]CARBONYL}-L-TYROSYL-N~6~-[AMINO(IMINO)METHYL]-L-LYSINAMIDE | | Formula: | C38 H61 N11 O6 | | SMILES: | O=C(NC(C(=O)NC(C(=O)N)CCCCNC(=[N@H])N)Cc1ccc(O)cc1)C4N(C(=O)C(NC(=O)C2CCC(CNC(=[N@H])N)CC2)CC3CCCCC3)CC4 | | InChi: | InChI=1S/C38H61N11O6/c39-32(51)28(8-4-5-18-44-37(40)41)46-34(53)29(20-24-11-15-27(50)16-12-24)47-35(54)31-17-19-49(31)36(55)30(21-23-6-2-1-3-7-23)48-33(52)26-13-9-25(10-14-26)22-45-38(42)43/h11-12,15-16,23,25-26,28-31,50H,1-10,13-14,17-22H2,(H2,39,51)(H,46,53)(H,47,54)(H,48,52)(H4,40,41,44)(H4,42,43,45)/t25-,26+,28-,29+,30+,31-/m0/s1 | | Synonyms: | TRANS-4-(GUANIDINOMETHYL)-CYCLOHEXANE-L-YL-D-3-CYCLOHEXYLALANYL-L-AZETIDINE-2-YL-D-TYROSINYL-L-HOMOARGININAMIDE | | Definition date: | 2004-10-14 | | Last modified: | 2021-03-01 | | Identifier: | N-{[(2S)-1-(N-{[cis-4-(carbamimidamidomethyl)cyclohexyl]carbonyl}-3-cyclohexyl-D-alanyl)azetidin-2-yl]carbonyl}-D-tyrosyl-N~6~-carbamimidoyl-L-lysinamide |
|
 | | 5YB | | Name: | N-(4-carbamimidoylbenzoyl)-beta-alanyl-L-alpha-aspartyl-L-phenylalanine | | Formula: | C24 H27 N5 O7 | | SMILES: | C(c1ccc(C(=N)N)cc1)(=O)NCCC(=O)NC(CC(=O)O)C(=O)NC(Cc2ccccc2)C(=O)O | | InChi: | InChI=1S/C24H27N5O7/c25-21(26)15-6-8-16(9-7-15)22(33)27-11-10-19(30)28-17(13-20(31)32)23(34)29-18(24(35)36)12-14-4-2-1-3-5-14/h1-9,17-18H,10-13H2,(H3,25,26)(H,27,33)(H,28,30)(H,29,34)(H,31,32)(H,35,36)/t17-,18-/m0/s1 | | Synonyms: | Ro-435054 | | Definition date: | 2016-01-05 | | Last modified: | 2021-03-01 | | Release date: | 2016-02-03 | | Identifier: | N-(4-carbamimidoylbenzoyl)-beta-alanyl-L-alpha-aspartyl-L-phenylalanine |
|
 | | GBJ | | Name: | 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol | | Formula: | C20 H20 O4 | | SMILES: | O4c2c1C=CC(Oc1ccc2CC(c3ccc(O)cc3O)C4)(C)C | | InChi: | InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1 | | Synonyms: | glabridin | | Definition date: | 2013-10-24 | | Last modified: | 2021-03-01 | | Release date: | 2014-02-19 | | Identifier: | 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol |
|
 | | GBL | | Name: | GAMMA-BUTYROLACTONE | | Formula: | C4 H6 O2 | | SMILES: | O=C1OCCC1 | | InChi: | InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2 | | Synonyms: | DIHYDROFURAN-2(3H)-ONE | | Definition date: | 2006-01-04 | | Last modified: | 2021-03-01 | | Identifier: | dihydrofuran-2(3H)-one |
|
 | | GBO | | Name: | (2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate | | Formula: | C20 H35 N3 O9 P2 S | | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)NCC(=C/CCC(=C/COP(=O)(O)OP(=O)(O)O)/C)/C | | InChi: | InChI=1S/C20H35N3O9P2S/c1-14(10-11-31-34(29,30)32-33(26,27)28)6-5-7-15(2)12-21-18(24)9-4-3-8-17-19-16(13-35-17)22-20(25)23-19/h7,10,16-17,19H,3-6,8-9,11-13H2,1-2H3,(H,21,24)(H,29,30)(H2,22,23,25)(H2,26,27,28)/b14-10+,15-7+/t16-,17-,19-/m0/s1 | | Synonyms: | Biotin-GPP | | Definition date: | 2008-10-15 | | Last modified: | 2021-03-01 | | Identifier: | (2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate |
|
 | | GBX | | Name: | 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID | | Formula: | C30 H27 N3 O9 S | | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC3c2c1ccc5c4c1c(cc2C(=O)C(=O)C3O)ccc4ccc5 | | InChi: | InChI=1S/C30H27N3O9S/c31-18(30(41)42)8-9-20(34)33-19(29(40)32-11-21(35)36)12-43-28-24-16-7-6-14-3-1-2-13-4-5-15(23(16)22(13)14)10-17(24)25(37)26(38)27(28)39/h1-7,10,18-19,27-28,39H,8-9,11-12,31H2,(H,32,40)(H,33,34)(H,35,36)(H,41,42)/t18-,19-,27-,28-/m0/s1 | | Synonyms: | GLUTATHIONE CONJUGATE OF (+)-ANTI-BPDE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | L-gamma-glutamyl-S-[(9S,10S)-9-hydroxy-7,8-dioxo-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]-L-cysteinylglycine |
|
 | | GCA | | Name: | 6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL | | Formula: | C19 H26 N2 O3 | | SMILES: | O=C1C(=C(N(C(=O)N1)COCC)Cc2cc(cc(c2)C)C)C(C)C | | InChi: | InChI=1S/C19H26N2O3/c1-6-24-11-21-16(10-15-8-13(4)7-14(5)9-15)17(12(2)3)18(22)20-19(21)23/h7-9,12H,6,10-11H2,1-5H3,(H,20,22,23) | | Synonyms: | GCA-186 | | Definition date: | 1999-07-26 | | Last modified: | 2021-03-01 | | Identifier: | 6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione |
|
