| 1PV | Name: | [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid | Formula: | C27 H25 B F2 N2 O6 S | SMILES: | Fc1c(B(O)O)ccc(c1)CN(c4c(cc2c(oc(c2C(=O)NC)c3ccc(F)cc3)c4)C5CC5)S(=O)(=O)C | InChi: | InChI=1S/C27H25BF2N2O6S/c1-31-27(33)25-20-12-19(16-4-5-16)23(13-24(20)38-26(25)17-6-8-18(29)9-7-17)32(39(2,36)37)14-15-3-10-21(28(34)35)22(30)11-15/h3,6-13,16,34-35H,4-5,14H2,1-2H3,(H,31,33) | Synonyms: | GSK5852 | Definition date: | 2013-04-23 | Last modified: | 2021-03-01 | Release date: | 2013-05-08 | Identifier: | [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid |
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| 1QK | Name: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium | Formula: | C21 H29 N6 O2 | SMILES: | n2c(cc(NCc1ccc[n+](O)c1)n3ncc(c23)CC)N4C(CCO)CCCC4 | InChi: | InChI=1S/C21H29N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28-29H,2-4,7-8,10-11,13H2,1H3/q+1/t18-/m0/s1 | Synonyms: | DINACICLIB | Definition date: | 2013-04-26 | Last modified: | 2021-03-01 | Identifier: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium |
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| 1QW | Name: | (2R)-2,3-dihydroxypropyl dodecanoate | Formula: | C15 H30 O4 | SMILES: | O=C(OCC(O)CO)CCCCCCCCCCC | InChi: | InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3/t14-/m1/s1 | Synonyms: | 1-Lauroyl-rac-glycerol | Definition date: | 2013-05-01 | Last modified: | 2021-03-01 | Release date: | 2013-09-18 | Identifier: | (2R)-2,3-dihydroxypropyl dodecanoate |
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| 1R4 | Name: | L-gamma-glutamyl-S-[2-(4-nitrophenyl)-2-oxoethyl]-L-cysteinylglycine | Formula: | C18 H22 N4 O9 S | SMILES: | O=[N+]([O-])c1ccc(C(=O)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)cc1 | InChi: | InChI=1S/C18H22N4O9S/c19-12(18(28)29)5-6-15(24)21-13(17(27)20-7-16(25)26)8-32-9-14(23)10-1-3-11(4-2-10)22(30)31/h1-4,12-13H,5-9,19H2,(H,20,27)(H,21,24)(H,25,26)(H,28,29)/t12-,13-/m0/s1 | Synonyms: | S-(4-nitrophenacyl)glutathione | Definition date: | 2013-01-22 | Last modified: | 2021-03-01 | Release date: | 2013-04-24 | Identifier: | L-gamma-glutamyl-S-[2-(4-nitrophenyl)-2-oxoethyl]-L-cysteinylglycine |
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| Q8V | Name: | ethyl (2Z)-3-amino-2-cyano-3-phenylprop-2-enoate | Formula: | C12 H12 N2 O2 | SMILES: | c1cc(C(=C(C(OCC)=O)C#N)N)ccc1 | InChi: | InChI=1S/C12H12N2O2/c1-2-16-12(15)10(8-13)11(14)9-6-4-3-5-7-9/h3-7H,2,14H2,1H3/b11-10- | Synonyms: | phenamacril | Definition date: | 2019-10-03 | Last modified: | 2021-03-01 | Release date: | 2020-03-25 | Identifier: | ethyl (2Z)-3-amino-2-cyano-3-phenylprop-2-enoate |
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| 1SQ | Name: | ISOQUINOLIN-1-AMINE | Formula: | C9 H8 N2 | SMILES: | n1c(c2c(cc1)cccc2)N | InChi: | InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11) | Synonyms: | 1-AMINO-ISOQUINOLINE | Definition date: | 2007-01-12 | Last modified: | 2021-03-01 | Identifier: | isoquinolin-1-amine |
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| 1SZ | Name: | N-[5-[[4-[[5-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxidanylidene-butyl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]imidazole-2-carboxamide | Formula: | C58 H71 N21 O10 | SMILES: | O=C(NCCCN(C)C)CCNC(=O)c1cc(cn1C)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)NC(=O)c4cc(cn4C)NC(=O)CCCNC(=O)c5cc(cn5C)NC(=O)c8nc(NC(=O)c7cc(NC(=O)c6nccn6C)cn7C)cn8C | InChi: | InChI=1S/C58H71N21O10/c1-71(2)19-12-16-59-47(80)14-17-62-52(83)41-22-35(28-73(41)4)64-54(85)43-25-37(30-76(43)7)66-55(86)44-24-36(29-77(44)8)65-53(84)42-21-34(27-75(42)6)63-48(81)13-11-15-61-51(82)40-23-38(31-74(40)5)68-58(89)50-69-46(33-79(50)10)70-56(87)45-26-39(32-78(45)9)67-57(88)49-60-18-20-72(49)3/h18,20-33H,11-17,19H2,1-10H3,(H,59,80)(H,61,82)(H,62,83)(H,63,81)(H,64,85)(H,65,84)(H,66,86)(H,67,88)(H,68,89)(H,70,87) | Synonyms: | PYRROLE-IMIDAZOLE POLYAMIDE | Definition date: | 2013-07-08 | Last modified: | 2021-03-01 | Release date: | 2013-07-17 | Identifier: | N-(5-{[4-({5-[(5-{[5-({5-[(3-{[3-(dimethylamino)propyl]amino}-3-oxopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}amino)-4-oxobutyl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)-1-methyl-4-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-imidazole-2-carboxamide |
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| QB5 | Name: | N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide | Formula: | C21 H22 N4 O3 | SMILES: | CC(=O)Nc1ccc(cc1OCc2ccccc2)C(=O)NCCc3c[nH]cn3 | InChi: | InChI=1S/C21H22N4O3/c1-15(26)25-19-8-7-17(21(27)23-10-9-18-12-22-14-24-18)11-20(19)28-13-16-5-3-2-4-6-16/h2-8,11-12,14H,9-10,13H2,1H3,(H,22,24)(H,23,27)(H,25,26) | Synonyms: | 4-acetamido-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-3-phenylmethoxy-benzamide | Definition date: | 2020-06-01 | Last modified: | 2021-03-01 | Release date: | 2020-07-29 | Identifier: | 4-acetamido-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-3-phenylmethoxy-benzamide |
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| 1UN | Name: | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE | Formula: | C32 H45 N3 O4 S | SMILES: | O=C(c1cccc(O)c1C)NC(CSc2ccccc2)C(O)CN4C(C(=O)NC(C)(C)C)CC3CCCCC3C4 | InChi: | InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1 | Synonyms: | NELFINAVIR MESYLATE AG1343 | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-{[(3-hydroxy-2-methylphenyl)carbonyl]amino}-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide |
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| 1WF | Name: | 4-[(2S)-2-(methylamino)propyl]phenol | Formula: | C10 H15 N O | SMILES: | Oc1ccc(cc1)CC(NC)C | InChi: | InChI=1S/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3/t8-/m0/s1 | Synonyms: | 4-Hydroxymethamphetamine | Definition date: | 2013-07-05 | Last modified: | 2021-03-01 | Release date: | 2013-12-11 | Identifier: | 4-[(2S)-2-(methylamino)propyl]phenol |
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| QDN | Name: | Quinidine | Formula: | C20 H24 N2 O2 | SMILES: | O(c4cc1c(nccc1C(O)C2N3CCC(C2)C(/C=C)C3)cc4)C | InChi: | InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1 | Synonyms: | (9S)-6'-methoxycinchonan-9-ol | Definition date: | 2014-10-15 | Last modified: | 2021-03-01 | Release date: | 2015-01-14 | Identifier: | (9S)-6'-methoxycinchonan-9-ol |
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| QDO | Name: | 2,3-bis(bromomethyl)quinoxaline 1,4-dioxide | Formula: | C10 H8 Br2 N2 O2 | SMILES: | [O-][n+]2c1ccccc1[n+]([O-])c(c2CBr)CBr | InChi: | InChI=1S/C10H8Br2N2O2/c11-5-9-10(6-12)14(16)8-4-2-1-3-7(8)13(9)15/h1-4H,5-6H2 | Synonyms: | conoidin A | Definition date: | 2013-05-31 | Last modified: | 2021-03-01 | Release date: | 2013-07-31 | Identifier: | 2,3-bis(bromomethyl)quinoxaline 1,4-dioxide |
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| 1WO | Name: | (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione | Formula: | C20 H26 O3 | SMILES: | O=C2C(=CC1=CC(=O)C3C(C1=C2O)(CCCC3(C)C)C)C(C)C | InChi: | InChI=1S/C20H26O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,18,23H,6-8H2,1-5H3/t18-,20+/m0/s1 | Synonyms: | taxodione | Definition date: | 2014-02-24 | Last modified: | 2021-03-01 | Release date: | 2014-07-02 | Identifier: | (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione |
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| QEI | Name: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | Formula: | C12 H15 N5 O3 | SMILES: | O=C1c2c(cnc2N=C(N1)N)CNC3C=CC(O)C3O | InChi: | InChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9+/m0/s1 | Synonyms: | queuine | Definition date: | 2007-12-13 | Last modified: | 2021-03-01 | Identifier: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
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| 1YN | Name: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one | Formula: | C35 H38 Cl2 N8 O4 | SMILES: | O=C1N(N=CN1c2ccc(cc2)N7CCN(c6ccc(OCC3OC(OC3)(c4ccc(Cl)cc4Cl)Cn5ncnc5)cc6)CC7)C(C)CC | InChi: | InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25-,31+,35+/m1/s1 | Synonyms: | Itraconazole | Definition date: | 2013-08-05 | Last modified: | 2021-03-01 | Release date: | 2014-01-29 | Identifier: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
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| 20D | Name: | 2-(4-fluorophenyl)-4H-chromen-4-one | Formula: | C15 H9 F O2 | SMILES: | Fc3ccc(C=2Oc1ccccc1C(=O)C=2)cc3 | InChi: | InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H | Synonyms: | 4'-fluoroflavone | Definition date: | 2012-10-19 | Last modified: | 2021-03-01 | Release date: | 2012-10-26 | Identifier: | 2-(4-fluorophenyl)-4H-chromen-4-one |
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| 55C | Name: | 2-{[(2E)-3-(naphthalen-2-yl)but-2-enoyl]amino}benzoic acid | Formula: | C21 H17 N O3 | SMILES: | c31ccccc1cc(C(=CC(Nc2ccccc2C(O)=O)=O)C)cc3 | InChi: | InChI=1S/C21H17NO3/c1-14(16-11-10-15-6-2-3-7-17(15)13-16)12-20(23)22-19-9-5-4-8-18(19)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)/b14-12+ | Synonyms: | BIBR 1532 | Definition date: | 2015-07-27 | Last modified: | 2021-03-01 | Release date: | 2015-09-09 | Identifier: | 2-{[(2E)-3-(naphthalen-2-yl)but-2-enoyl]amino}benzoic acid |
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| 55Q | Name: | (2R,4R)-4-{[(2-{(1R,3R)-1-(acetyloxy)-4-methyl-3-[methyl(N-{[(2S)-1-methylpiperidin-2-yl]carbonyl}-D-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid | Formula: | C38 H57 N5 O7 S | SMILES: | N1(CCCCC1C(=O)NC(C(N(C(C(C)C)CC(OC(C)=O)c3nc(C(=O)NC(CC(C(=O)O)C)Cc2ccccc2)cs3)C)=O)C(CC)C)C | InChi: | InChI=1S/C38H57N5O7S/c1-9-24(4)33(41-35(46)30-17-13-14-18-42(30)7)37(47)43(8)31(23(2)3)21-32(50-26(6)44)36-40-29(22-51-36)34(45)39-28(19-25(5)38(48)49)20-27-15-11-10-12-16-27/h10-12,15-16,22-25,28,30-33H,9,13-14,17-21H2,1-8H3,(H,39,45)(H,41,46)(H,48,49)/t24-,25-,28-,30+,31-,32-,33-/m1/s1 | Synonyms: | Tubulysin M | Definition date: | 2015-07-30 | Last modified: | 2021-03-01 | Release date: | 2016-07-27 | Identifier: | (2R,4R)-4-{[(2-{(1R,3R)-1-(acetyloxy)-4-methyl-3-[methyl(N-{[(2S)-1-methylpiperidin-2-yl]carbonyl}-D-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid |
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| RCB | Name: | 4-nitrophenyl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside | Formula: | C24 H35 N O18 | SMILES: | [O-][N+](=O)c4ccc(OC3OC(C(OC2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO)C(O)C3O)CO)cc4 | InChi: | InChI=1S/C24H35NO18/c26-5-10-13(29)14(30)17(33)23(39-10)42-21-12(7-28)41-24(19(35)16(21)32)43-20-11(6-27)40-22(18(34)15(20)31)38-9-3-1-8(2-4-9)25(36)37/h1-4,10-24,26-35H,5-7H2/t10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+/m1/s1 | Synonyms: | p-nitrophenyl beta-D-cellotrioside | Definition date: | 2009-10-23 | Last modified: | 2021-03-01 | Identifier: | 4-nitrophenyl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside |
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| RD8 | Name: | Radezolid | Formula: | C22 H23 F N6 O3 | SMILES: | c3(F)c(c1ccc(cc1)CNCc2cnnn2)ccc(c3)N4CC(OC4=O)CNC(C)=O | InChi: | InChI=1S/C22H23FN6O3/c1-14(30)25-12-19-13-29(22(31)32-19)18-6-7-20(21(23)8-18)16-4-2-15(3-5-16)9-24-10-17-11-26-28-27-17/h2-8,11,19,24H,9-10,12-13H2,1H3,(H,25,30)(H,26,27,28)/t19-/m0/s1 | Synonyms: | RX-1741 | Definition date: | 2020-04-29 | Last modified: | 2021-03-01 | Release date: | 2020-06-03 | Identifier: | N-({(5S)-3-[2-fluoro-4'-({[(1H-1,2,3-triazol-4-yl)methyl]amino}methyl)[1,1'-biphenyl]-4-yl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide |
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| 58O | Name: | 6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile | Formula: | C24 H23 F3 N6 O S | SMILES: | c12sc(CC(F)(F)F)cc1c(ncn2)NC3CCN(CC3)Cc4c(cc5c(c4)cc(C#N)n5)OC | InChi: | InChI=1S/C24H23F3N6OS/c1-34-21-9-20-14(7-17(11-28)31-20)6-15(21)12-33-4-2-16(3-5-33)32-22-19-8-18(10-24(25,26)27)35-23(19)30-13-29-22/h6-9,13,16,31H,2-5,10,12H2,1H3,(H,29,30,32) | Synonyms: | MI-336 | Definition date: | 2015-08-21 | Last modified: | 2021-03-01 | Release date: | 2016-03-30 | Identifier: | 6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile |
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| RDF | Name: | N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN | Formula: | C23 H34 N3 O10 P | SMILES: | O=P(OC1OC(C(O)C(O)C1O)C)(O)NC(C(=O)NC(C(=O)O)Cc3c2ccccc2nc3)CC(C)C | InChi: | InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1 | Synonyms: | PHOSPHORAMIDON | Definition date: | 1999-12-17 | Last modified: | 2021-03-01 | Identifier: | (2S)-2-{[(2S)-2-{[(S)-hydroxy{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}phosphoryl]amino}-4-methylpentanoyl]amino}-3-(1H-indol-3-yl)propanoic acid |
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| 591 | Name: | (5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one | Formula: | C19 H19 N7 O | SMILES: | O=C4N(C(=NC4(c1cn(nc1)CC)c3cccc(c2cncnc2)c3)N)C | InChi: | InChI=1S/C19H19N7O/c1-3-26-11-16(10-23-26)19(17(27)25(2)18(20)24-19)15-6-4-5-13(7-15)14-8-21-12-22-9-14/h4-12H,3H2,1-2H3,(H2,20,24)/t19-/m0/s1 | Synonyms: | WAY-256591 | Definition date: | 2011-06-03 | Last modified: | 2021-03-01 | Identifier: | (5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one |
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| RE5 | Name: | L-Glutamate Tenofovir | Formula: | C14 H21 N6 O7 P | SMILES: | C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)N[CH](CCC(O)=O)C(O)=O | InChi: | InChI=1S/C14H21N6O7P/c1-8(4-20-6-18-11-12(15)16-5-17-13(11)20)27-7-28(25,26)19-9(14(23)24)2-3-10(21)22/h5-6,8-9H,2-4,7H2,1H3,(H,21,22)(H,23,24)(H2,15,16,17)(H2,19,25,26)/t8-,9+/m1/s1 | Synonyms: | (2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]pentanedioic acid | Definition date: | 2020-09-28 | Last modified: | 2021-03-01 | Release date: | 2021-01-13 | Identifier: | (2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]pentanedioic acid |
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| REK | Name: | D-Aspartate Tenofovir | Formula: | C13 H19 N6 O7 P | SMILES: | C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)N[CH](CC(O)=O)C(O)=O | InChi: | InChI=1S/C13H19N6O7P/c1-7(3-19-5-17-10-11(14)15-4-16-12(10)19)26-6-27(24,25)18-8(13(22)23)2-9(20)21/h4-5,7-8H,2-3,6H2,1H3,(H,20,21)(H,22,23)(H2,14,15,16)(H2,18,24,25)/t7-,8-/m1/s1 | Synonyms: | (2~{R})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]butanedioic acid | Definition date: | 2020-09-28 | Last modified: | 2021-03-01 | Release date: | 2021-01-13 | Identifier: | (2~{R})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]butanedioic acid |
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