 | | HMT | | Name: | (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine | | Formula: | C29 H39 N O9 | | SMILES: | O=C(OC)CC(O)(C(=O)OC5C(OC)=CC41N(CCC1)CCc3c(cc2OCOc2c3)C45)CCCC(O)(C)C | | InChi: | InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28+,29-/m1/s1 | | Synonyms: | Homoharringtonine | | Definition date: | 2009-02-16 | | Last modified: | 2020-05-27 | | Identifier: | (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine |
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 | | HRM | | Name: | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE | | Formula: | C13 H12 N2 O | | SMILES: | n3ccc2c1c(cc(OC)cc1)nc2c3C | | InChi: | InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3 | | Synonyms: | 7-METHOXY-1-METHYL-9H-PYRIDO[3,4-B]INDOL | | Definition date: | 2007-07-25 | | Last modified: | 2020-05-27 | | Identifier: | 7-methoxy-1-methyl-9H-beta-carboline |
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 | | G2I | | Name: | (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | | Formula: | C18 H33 N O13 | | SMILES: | O(C1C(O)CNCC1CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO | | InChi: | InChI=1S/C18H33NO13/c20-3-6-1-19-2-7(23)15(6)31-18-14(28)12(26)16(9(5-22)30-18)32-17-13(27)11(25)10(24)8(4-21)29-17/h6-28H,1-5H2/t6-,7-,8-,9-,10-,11+,12-,13-,14-,15-,16-,17+,18+/m1/s1 | | Synonyms: | Cellotriose-like isofagomine | | Definition date: | 2008-04-24 | | Last modified: | 2020-05-27 | | Identifier: | (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside |
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 | | G3I | | Name: | (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside | | Formula: | C24 H43 N O18 | | SMILES: | O(C2C(OC(OC1C(CO)CNCC1O)C(O)C2O)CO)C4OC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)CO | | InChi: | InChI=1S/C24H43NO18/c26-3-7-1-25-2-8(30)19(7)41-23-17(36)14(33)21(10(5-28)39-23)43-24-18(37)15(34)20(11(6-29)40-24)42-22-16(35)13(32)12(31)9(4-27)38-22/h7-37H,1-6H2/t7-,8-,9-,10-,11-,12-,13+,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+/m1/s1 | | Synonyms: | Cellotetraose-like isofagomine | | Definition date: | 2008-04-17 | | Last modified: | 2020-05-27 | | Identifier: | (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside |
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 | | HWG | | Name: | N-(TERT-BUTYL)-3,5-DIMETHYL-N'-[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBONYL]BENZOHYDRAZIDE | | Formula: | C23 H28 N2 O4 | | SMILES: | O=C(c1cc(cc(c1)C)C)N(NC(=O)c3ccc2OCCOc2c3C)C(C)(C)C | | InChi: | InChI=1S/C23H28N2O4/c1-14-11-15(2)13-17(12-14)22(27)25(23(4,5)6)24-21(26)18-7-8-19-20(16(18)3)29-10-9-28-19/h7-8,11-13H,9-10H2,1-6H3,(H,24,26) | | Synonyms: | 3,5-DIMETHYL-BENZOIC ACID N-TERT-BUTYL-N'-(5-METHYL-2,3-DIHYDRO-BENZO[1,4]DIOXINE-6-CARBONYL)-HYDRAZIDE | | Definition date: | 2003-11-05 | | Last modified: | 2020-05-27 | | Identifier: | N'-tert-butyl-N'-[(3,5-dimethylphenyl)carbonyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide |
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 | | HYG | | Name: | HYGROMYCIN B | | Formula: | C20 H37 N3 O13 | | SMILES: | O1C4C(OC12OC(C(O)C(O)C2O)C(N)CO)C(O)C(OC4OC3C(O)C(N)CC(NC)C3O)CO | | InChi: | InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13-,14+,15-,16+,17-,18-,19+,20-/m1/s1 | | Synonyms: | HYGROMIX | | Definition date: | 2000-12-15 | | Last modified: | 2020-05-27 | | Identifier: | (2R,3'R,3aR,4S,4'R,5'R,6R,6'S,7S,7aS)-4-{[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-3',4',5',7-tetrol (non-preferred name) |
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 | | CB1 | | Name: | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | | Formula: | C9 H8 N4 O5 | | SMILES: | [O-][N+](=O)c1c(cc(c(c1)[N+]([O-])=O)N2CC2)C(=O)N | | InChi: | InChI=1S/C9H8N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h3-4H,1-2H2,(H2,10,14) | | Synonyms: | CB1954 | | Definition date: | 2001-04-06 | | Last modified: | 2020-05-27 | | Identifier: | 5-aziridin-1-yl-2,4-dinitrobenzamide |
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 | | CE2 | | Name: | 3-(5-TERT-BUTYL-3-OXIDOISOXAZOL-4-YL)-L-ALANINATE | | Formula: | C10 H15 N2 O4 | | SMILES: | [O-]c1noc(c1CC(C([O-])=O)[NH3+])C(C)(C)C | | InChi: | InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/p-1/t6-/m0/s1 | | Synonyms: | (S)-ATPA | | Definition date: | 2003-01-24 | | Last modified: | 2020-05-27 | | Identifier: | (2S)-2-ammonio-3-(5-tert-butyl-3-oxidoisoxazol-4-yl)propanoate |
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 | | CGQ | | Name: | 3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUM | | Formula: | C17 H22 N9 | | SMILES: | N([NH+]=C(/N)N/N=C/c1cccc(C(=[NH2+])N)c1)=C/c2cccc(C(=[NH2+])N)c2 | | InChi: | InChI=1S/C17H19N9/c18-15(19)13-5-1-3-11(7-13)9-23-25-17(22)26-24-10-12-4-2-6-14(8-12)16(20)21/h1-10H,(H3,18,19)(H3,20,21)(H3,22,25,26)/p+3/b23-9+,24-10+ | | Synonyms: | CGP40215A | | Definition date: | 2002-07-30 | | Last modified: | 2020-05-27 | | Identifier: | (1E,2E)-1-{amino[(2E)-2-({3-[amino(iminio)methyl]phenyl}methylidene)hydrazino]methylidene}-2-({3-[amino(iminio)methyl]phenyl}methylidene)diazanium |
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 | | CHK | | Name: | 6-[(CYCLOHEXYLACETYL)(2-HYDROXYETHYL)AMINO]-6-DEOXY-D-XYLO-HEXITOL | | Formula: | C16 H31 N O7 | | SMILES: | O=C(N(CC(O)C(O)C(O)C(O)CO)CCO)CC1CCCCC1 | | InChi: | InChI=1S/C16H31NO7/c18-7-6-17(14(22)8-11-4-2-1-3-5-11)9-12(20)15(23)16(24)13(21)10-19/h11-13,15-16,18-21,23-24H,1-10H2/t12-,13+,15-,16+/m1/s1 | | Synonyms: | C-HEGA-8 | | Definition date: | 2004-11-24 | | Last modified: | 2020-05-27 | | Identifier: | 6-[(cyclohexylacetyl)(2-hydroxyethyl)amino]-6-deoxy-D-allitol |
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 | | CIA | | Name: | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-B]INDOLE-1,4-DIONE | | Formula: | C22 H19 N3 O4 | | SMILES: | O=C1N(C)CC(=O)N6C1Cc3c2ccccc2nc3C6c4ccc5OCOc5c4 | | InChi: | InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | | Synonyms: | TADALAFIL | | Definition date: | 2003-05-08 | | Last modified: | 2020-05-27 | | Identifier: | (6R,12aR)-6-(1,3-benzodioxol-5-yl)-2-methyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione |
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 | | GB0 | | Name: | Bacteriochlorophyll g' | | Formula: | C50 H58 Mg N4 O5 | | SMILES: | C(C=C(/C)CCC=C(CCC=C(/C)C)C)OC(CCC=4C5=C2C1=N7C(C(=C1C(C2C(=O)OC)=O)C)=Cc9c(c(c8C=C3N6=C(C(=C3CC)C)C=C(C=4C)N5[Mg]67n89)C)CC)=O | | InChi: | InChI=1S/C50H59N4O5.Mg/c1-12-34-30(7)37-24-39-32(9)36(20-21-43(55)59-23-22-29(6)19-15-18-28(5)17-14-16-27(3)4)47(53-39)45-46(50(57)58-11)49(56)44-33(10)40(54-48(44)45)26-42-35(13-2)31(8)38(52-42)25-41(34)51-37 | | Definition date: | 2017-08-11 | | Last modified: | 2020-05-27 | | Release date: | 2017-09-06 | | Identifier: | [methyl 9,14-diethyl-4,8,13,18-tetramethyl-20-oxo-3-{3-oxo-3-[(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)oxy]propyl}-3,4,23,25-tetradehydro-24,26-dihydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium |
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 | | C2M | | Name: | 5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE-2,4-DIAMINE | | Formula: | C11 H10 Cl2 N4 | | SMILES: | Clc2ccc(c1c(nc(nc1C)N)N)cc2Cl | | InChi: | InChI=1S/C11H10Cl2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17) | | Synonyms: | METOPRINE | | Definition date: | 2005-09-01 | | Last modified: | 2020-05-27 | | Identifier: | 5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine |
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 | | C2R | | Name: | 5-AMINO-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID | | Formula: | C9 H14 N3 O9 P | | SMILES: | O=C(O)c1ncn(c1N)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/t3-,5-,6-,8-/m1/s1 | | Synonyms: | CAIR | | Definition date: | 2006-04-25 | | Last modified: | 2020-05-27 | | Identifier: | 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid |
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 | | DXT | | Name: | (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE | | Formula: | C22 H24 N2 O8 | | SMILES: | O=C3C2=C(O)C1(O)C(=O)C(=C(O)C(N(C)C)C1C(O)C2C(c4cccc(O)c34)C)C(=O)N | | InChi: | InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1 | | Synonyms: | DOXYTETRACYCLINE | | Definition date: | 2006-12-27 | | Last modified: | 2020-05-27 | | Identifier: | (4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
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 | | E55 | | Name: | 3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[(3R)-3-METHOXYDECYL]-6-O-METHYL-2-[(11Z)-OCTADEC-11-ENOYLAMINO]-4-O-PHOSPHONO-BETA-D-GLUCOPYRANOSYL}-2-[(3-OXOTETRADECANOYL)AMINO]-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE | | Formula: | C66 H126 N2 O19 P2 | | SMILES: | O=P(OC1OC(C(O)C(OCCCCCCCCCC)C1NC(=O)CC(=O)CCCCCCCCCCC)COC2OC(COC)C(OP(=O)(O)O)C(OCCC(OC)CCCCCCC)C2NC(=O)CCCCCCCCCC=C/CCCCCC)(O)O | | InChi: | InChI=1S/C66H126N2O19P2/c1-7-11-15-19-22-25-26-27-28-29-30-32-34-38-42-46-57(70)67-60-64(82-49-47-54(80-6)45-41-36-18-14-10-4)62(86-88(73,74)75)56(51-79-5)85-65(60)83-52-55-61(72)63(81-48-43-39-35-24-21-17-13-9-3)59(66(84-55)87-89(76,77)78)68-58(71)50-53(69)44-40-37-33-31-23-20-16-12-8-2/h25-26,54-56,59-66,72H,7-24,27-52H2,1-6H3,(H,67,70)(H,68,71)(H2,73,74,75)(H2,76,77,78)/b26-25-/t54-,55-,56-,59-,60-,61-,62-,63-,64-,65-,66-/m1/s1 | | Synonyms: | E5564 | | Definition date: | 2007-08-01 | | Last modified: | 2020-05-27 | | Identifier: | 3-O-decyl-2-deoxy-6-O-{2-deoxy-3-O-[(3R)-3-methoxydecyl]-6-O-methyl-2-[(11Z)-octadec-11-enoylamino]-4-O-phosphono-beta-D-glucopyranosyl}-2-[(3-oxotetradecanoyl)amino]-1-O-phosphono-alpha-D-glucopyranose |
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 | | FA4 | | Name: | SM-25453 | | Formula: | C24 H42 N6 O3 | | SMILES: | O=C(NO)C(NC(=O)CCCCCCCCCc1ccccc1CNC(=[N@H])N)CCCCN | | InChi: | InChI=1S/C24H42N6O3/c25-17-11-10-15-21(23(32)30-33)29-22(31)16-7-5-3-1-2-4-6-12-19-13-8-9-14-20(19)18-28-24(26)27/h8-9,13-14,21,33H,1-7,10-12,15-18,25H2,(H,29,31)(H,30,32)(H4,26,27,28)/t21-/m1/s1 | | Synonyms: | (2-(9-((R)-1-(HYDROXYCARBAMOYL)-5-AMINOPENTYLCARBAMOYL)NONYL)BENZYL)GUANIDINE | | Definition date: | 2005-09-28 | | Last modified: | 2020-05-27 | | Identifier: | N-[(1R)-5-amino-1-(hydroxycarbamoyl)pentyl]-10-[2-(carbamimidamidomethyl)phenyl]decanamide |
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 | | ISE | | Name: | (2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexanone | | Formula: | C6 H10 O6 | | SMILES: | O=C1C(O)C(O)C(O)C(O)C1O | | InChi: | InChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1-,2-,3+,4+,5- | | Synonyms: | Inosose | | Definition date: | 2010-07-08 | | Last modified: | 2020-05-27 | | Identifier: | (2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexanone |
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 | | GSN | | Name: | 2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE | | Formula: | C10 H14 N4 O7 S | | SMILES: | O=C(NC(C(=O)NCC([O-])=O)CSN=O)CCC(C([O-])=O)N | | InChi: | InChI=1S/C10H16N4O7S/c11-5(10(19)20)1-2-7(15)13-6(4-22-14-21)9(18)12-3-8(16)17/h5-6H,1-4,11H2,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/p-2/t5-,6-/m0/s1 | | Synonyms: | S-NITROSOGLUTATHIONE | | Definition date: | 2005-06-28 | | Last modified: | 2020-05-27 | | Identifier: | (2S)-2-amino-5-({(1R)-2-[(carboxylatomethyl)amino]-1-[(nitrososulfanyl)methyl]-2-oxoethyl}amino)-5-oxopentanoate |
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 | | GW5 | | Name: | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID | | Formula: | C25 H22 O2 | | SMILES: | O=C(O)C=Cc3ccc(C(=C(/c1ccccc1)CC)c2ccccc2)cc3 | | InChi: | InChI=1S/C25H22O2/c1-2-23(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-16-13-19(14-17-22)15-18-24(26)27/h3-18H,2H2,1H3,(H,26,27)/b18-15+,25-23- | | Synonyms: | GW5638 | | Definition date: | 2003-10-15 | | Last modified: | 2020-05-27 | | Identifier: | (2E)-3-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenyl}prop-2-enoic acid |
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 | | CP0 | | Name: | (4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE | | Formula: | C33 H38 N4 O6 | | SMILES: | O=C7OCC=6C(=O)N2C(c1nc5c(c(c1C2)CC)cc(OC(=O)N4CCC(N3CCCCC3)CC4)cc5)=CC=6C7(O)CC | | InChi: | InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1 | | Synonyms: | IRINOTECAN | | Definition date: | 2004-08-02 | | Last modified: | 2020-05-27 | | Identifier: | (4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl 1,4'-bipiperidine-1'-carboxylate |
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 | | CQA | | Name: | 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-2-[(DIETHYLAMINO)METHYL]PHENOL | | Formula: | C20 H22 Cl N3 O | | SMILES: | Clc1cc2nccc(c2cc1)Nc3cc(c(O)cc3)CN(CC)CC | | InChi: | InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23) | | Synonyms: | AMODIAQUINE | | Definition date: | 2005-08-31 | | Last modified: | 2020-05-27 | | Identifier: | 4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol |
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 | | CTL | | Name: | CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL | | Formula: | C10 H13 N O | | SMILES: | OC2c1ccccc1CCC2N | | InChi: | InChI=1S/C10H13NO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-10,12H,5-6,11H2/t9-,10+/m0/s1 | | Synonyms: | CIS-(1R,2S)-1-HYDROXY-2-AMINO-1,2,3,4 TETRAHYDRONAPHTHALENE | | Definition date: | 2005-08-12 | | Last modified: | 2020-05-27 | | Identifier: | (1R,2S)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol |
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 | | EH9 | | Name: | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol | | Formula: | C14 H23 N5 O | | SMILES: | n1c(c2ncn(c2nc1)C(CCCCCC)C(O)C)N | | InChi: | InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1 | | Synonyms: | Erythro-9-[3-(2-hydroxynonyl)] adenine | | Definition date: | 2007-08-22 | | Last modified: | 2020-05-27 | | Identifier: | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol |
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 | | KEU | | Name: | N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-D-GLUTAMIC ACID | | Formula: | C22 H30 F3 N5 O8 | | SMILES: | O=C1NC(N)NC(N)C1CCCC(c2ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc2)C(O)(O)C(F)(F)F | | InChi: | InChI=1S/C22H30F3N5O8/c23-22(24,25)21(37,38)13(3-1-2-12-16(26)29-20(27)30-18(12)34)10-4-6-11(7-5-10)17(33)28-14(19(35)36)8-9-15(31)32/h4-7,12-14,16,20,29,37-38H,1-3,8-9,26-27H2,(H,28,33)(H,30,34)(H,31,32)(H,35,36)/t12?,13-,14+,16+,20-/m1/s1 | | Synonyms: | 10-CF3C(OH)2-DDACTHF | | Definition date: | 2003-02-20 | | Last modified: | 2020-05-27 | | Identifier: | N-({4-[(1R)-4-[(2R,4S,5S)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-glutamic acid |
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