| YM2 | Name: | 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE | Formula: | C23 H30 N4 O3 | SMILES: | O=C2N(c1ccncc1)CCN2CCC(CCOc3ccc(C=NOCC)cc3)C | InChi: | InChI=1S/C23H30N4O3/c1-3-30-25-18-20-4-6-22(7-5-20)29-17-11-19(2)10-14-26-15-16-27(23(26)28)21-8-12-24-13-9-21/h4-9,12-13,18-19H,3,10-11,14-17H2,1-2H3/b25-18+/t19-/m0/s1 | Definition date: | 2013-11-06 | Last modified: | 2014-09-05 | Release date: | 2014-02-12 | Identifier: | 1-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]-3-(pyridin-4-yl)imidazolidin-2-one |
|
| TU0 | Name: | (E)-2-(5-BROMO-2-HYDROXYPHENYL)ETHENESULFONIC ACID | Formula: | C8 H7 Br O4 S | SMILES: | Brc1cc(C=CS(=O)(=O)O)c(O)cc1 | InChi: | InChI=1S/C8H7BrO4S/c9-7-1-2-8(10)6(5-7)3-4-14(11,12)13/h1-5,10H,(H,11,12,13)/b4-3+ | Definition date: | 2012-10-03 | Last modified: | 2014-09-05 | Release date: | 2013-02-01 | Identifier: | (E)-2-(5-bromo-2-hydroxyphenyl)ethenesulfonic acid |
|
| Y7N | Name: | 5-[(E)-[(2S)-2-(6-azanylhexanoylamino)-2,3-dihydroinden-1-ylidene]methyl]-1,3-benzodioxole-4-carboxylic acid | Formula: | C24 H26 N2 O5 | SMILES: | O=C(NC2C(/c1ccccc1C2)=C/c3ccc4OCOc4c3C(=O)O)CCCCCN | InChi: | InChI=1S/C24H26N2O5/c25-11-5-1-2-8-21(27)26-19-13-15-6-3-4-7-17(15)18(19)12-16-9-10-20-23(31-14-30-20)22(16)24(28)29/h3-4,6-7,9-10,12,19H,1-2,5,8,11,13-14,25H2,(H,26,27)(H,28,29)/b18-12+/t19-/m0/s1 | Definition date: | 2013-12-07 | Last modified: | 2014-09-05 | Release date: | 2014-01-08 | Identifier: | 5-[(E)-{(2S)-2-[(6-aminohexanoyl)amino]-2,3-dihydro-1H-inden-1-ylidene}methyl]-1,3-benzodioxole-4-carboxylic acid |
|
| ZT2 | Name: | 5-[(E)-(2-OXO-2,3-DIHYDRO-1H-INDEN-1-YLIDENE)METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID | Formula: | C18 H12 O5 | SMILES: | O=C2C(c1ccccc1C2)=Cc3ccc4OCOc4c3C(=O)O | InChi: | InChI=1S/C18H12O5/c19-14-8-10-3-1-2-4-12(10)13(14)7-11-5-6-15-17(23-9-22-15)16(11)18(20)21/h1-7H,8-9H2,(H,20,21)/b13-7+ | Definition date: | 2011-07-01 | Last modified: | 2014-09-05 | Identifier: | 5-[(E)-(2-oxo-2,3-dihydro-1H-inden-1-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid |
|
| ZT4 | Name: | 5-{(E)-[(2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLIDENE]METHYL}-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID | Formula: | C18 H14 O5 | SMILES: | O=C(O)c1c(ccc2OCOc12)/C=C4c3ccccc3CC4O | InChi: | InChI=1S/C18H14O5/c19-14-8-10-3-1-2-4-12(10)13(14)7-11-5-6-15-17(23-9-22-15)16(11)18(20)21/h1-7,14,19H,8-9H2,(H,20,21)/b13-7+/t14-/m0/s1 | Definition date: | 2011-07-01 | Last modified: | 2014-09-05 | Identifier: | 5-{(E)-[(2S)-2-hydroxy-2,3-dihydro-1H-inden-1-ylidene]methyl}-1,3-benzodioxole-4-carboxylic acid |
|
| JG7 | Name: | (2S,4R)-4-[2-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(trifluoromethyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide | Formula: | C26 H33 Cl F3 N5 O4 S | SMILES: | FC(F)(F)C5(C(=O)N2C(C(=O)NC1(C=[N@H])CC1)CC(C2)S(=O)(=O)c4ccc(N3CCN(CC)CC3)cc4Cl)CC5 | InChi: | InChI=1S/C26H33ClF3N5O4S/c1-2-33-9-11-34(12-10-33)17-3-4-21(19(27)13-17)40(38,39)18-14-20(22(36)32-24(16-31)5-6-24)35(15-18)23(37)25(7-8-25)26(28,29)30/h3-4,13,16,18,20,31H,2,5-12,14-15H2,1H3,(H,32,36)/b31-16+/t18-,20+/m1/s1 | Definition date: | 2013-06-07 | Last modified: | 2014-09-05 | Release date: | 2014-06-18 | Identifier: | (4R)-4-{[2-chloro-4-(4-ethylpiperazin-1-yl)phenyl]sulfonyl}-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide |
|
| 7VR | Name: | 4-((5-(2-oxo-3-(pyridin-4-yl)imidazolidin-1-yl)pentyl)oxy)benzaldehyde O-ethyl oxime | Formula: | C22 H28 N4 O3 | SMILES: | O=C2N(c1ccncc1)CCN2CCCCCOc3ccc(C=NOCC)cc3 | InChi: | InChI=1S/C22H28N4O3/c1-2-29-24-18-19-6-8-21(9-7-19)28-17-5-3-4-14-25-15-16-26(22(25)27)20-10-12-23-13-11-20/h6-13,18H,2-5,14-17H2,1H3/b24-18+ | Definition date: | 2013-11-05 | Last modified: | 2014-09-05 | Release date: | 2014-02-12 | Identifier: | 1-(5-{4-[(E)-(ethoxyimino)methyl]phenoxy}pentyl)-3-(pyridin-4-yl)imidazolidin-2-one |
|
| K5Q | Name: | (2S)-6-[(E)-[(2E)-2-hydroxyimino-3H-inden-1-ylidene]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid | Formula: | C22 H19 N O7 | SMILES: | O=C(O)c2c(ccc1OC(COc12)CCC(=O)O)C=C4/c3ccccc3CC4=NO | InChi: | InChI=1S/C22H19NO7/c24-19(25)8-6-14-11-29-21-18(30-14)7-5-13(20(21)22(26)27)9-16-15-4-2-1-3-12(15)10-17(16)23-28/h1-5,7,9,14,28H,6,8,10-11H2,(H,24,25)(H,26,27)/b16-9+,23-17+/t14-/m0/s1 | Definition date: | 2013-11-25 | Last modified: | 2014-09-05 | Release date: | 2013-12-04 | Identifier: | (2S)-2-(2-carboxyethyl)-6-{(E)-[(2E)-2-(hydroxyimino)-2,3-dihydro-1H-inden-1-ylidene]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid |
|
| 2UB | Name: | (Z)-3-(4-chlorophenyl)-2-mercaptoacrylic acid | Formula: | C9 H7 Cl O2 S | SMILES: | Clc1ccc(C=C(S)C(=O)O)cc1 | InChi: | InChI=1S/C9H7ClO2S/c10-7-3-1-6(2-4-7)5-8(13)9(11)12/h1-5,13H,(H,11,12)/b8-5+ | Definition date: | 2014-05-07 | Last modified: | 2014-09-05 | Release date: | 2014-08-13 | Identifier: | (2E)-3-(4-chlorophenyl)-2-sulfanylprop-2-enoic acid |
|
| 2UQ | Name: | N-benzyl-2-[(Z)-iminomethyl]pyrimidine-5-carboxamide | Formula: | C13 H12 N4 O | SMILES: | O=C(c1cnc(nc1)C=[N@H])NCc2ccccc2 | InChi: | InChI=1S/C13H12N4O/c14-6-12-15-8-11(9-16-12)13(18)17-7-10-4-2-1-3-5-10/h1-6,8-9,14H,7H2,(H,17,18)/b14-6+ | Definition date: | 2014-05-08 | Last modified: | 2014-09-05 | Release date: | 2014-09-10 | Identifier: | N-benzyl-2-[(E)-iminomethyl]pyrimidine-5-carboxamide |
|
| MG2 | Name: | (2S,4R)-N-[1-(iminomethyl)cyclopropyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxamide | Formula: | C16 H18 F3 N3 O3 S | SMILES: | O=C(NC1(C=[N@H])CC1)C3NCC(S(=O)(=O)c2ccccc2C(F)(F)F)C3 | InChi: | InChI=1S/C16H18F3N3O3S/c17-16(18,19)11-3-1-2-4-13(11)26(24,25)10-7-12(21-8-10)14(23)22-15(9-20)5-6-15/h1-4,9-10,12,20-21H,5-8H2,(H,22,23)/b20-9+/t10-,12+/m1/s1 | Definition date: | 2013-06-07 | Last modified: | 2014-09-05 | Release date: | 2013-11-27 | Identifier: | (4R)-N-{1-[(E)-iminomethyl]cyclopropyl}-4-{[2-(trifluoromethyl)phenyl]sulfonyl}-L-prolinamide |
|
| 1TD | Name: | 3-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]benzoic acid | Formula: | C16 H11 N O3 | SMILES: | O=C(O)c1cccc(c1)C=C3/c2ccccc2NC3=O | InChi: | InChI=1S/C16H11NO3/c18-15-13(12-6-1-2-7-14(12)17-15)9-10-4-3-5-11(8-10)16(19)20/h1-9H,(H,17,18)(H,19,20)/b13-9+ | Definition date: | 2013-11-22 | Last modified: | 2014-09-05 | Release date: | 2014-03-05 | Identifier: | 3-[(E)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]benzoic acid |
|
| 1WS | Name: | N-(3-aminopropyl)-8-[(3-fluorophenyl)amino]-2,4,5,7-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide | Formula: | C18 H20 F N7 O | SMILES: | Fc1cccc(c1)Nc2c4c(nn2)CCc3c(nnc34)C(=O)NCCCN | InChi: | InChI=1S/C18H20FN7O/c19-10-3-1-4-11(9-10)22-17-14-13(23-26-17)6-5-12-15(14)24-25-16(12)18(27)21-8-2-7-20/h1,3-4,9H,2,5-8,20H2,(H,21,27)(H,24,25)(H2,22,23,26) | Definition date: | 2013-04-30 | Last modified: | 2014-09-05 | Release date: | 2013-08-21 | Identifier: | N-(3-aminopropyl)-8-[(3-fluorophenyl)amino]-1,4,5,7-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide |
|
| 7J5 | Name: | 4-[3-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-2-oxidanylidene-imidazolidin-1-yl]pyridine-2-carboxamide | Formula: | C24 H31 N5 O4 | SMILES: | O=C(N)c3nccc(N2C(=O)N(CCC(CCOc1ccc(C=NOCC)cc1)C)CC2)c3 | InChi: | InChI=1S/C24H31N5O4/c1-3-33-27-17-19-4-6-21(7-5-19)32-15-10-18(2)9-12-28-13-14-29(24(28)31)20-8-11-26-22(16-20)23(25)30/h4-8,11,16-18H,3,9-10,12-15H2,1-2H3,(H2,25,30)/b27-17+/t18-/m0/s1 | Definition date: | 2013-11-12 | Last modified: | 2014-09-05 | Release date: | 2014-02-12 | Identifier: | 4-{3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]-2-oxoimidazolidin-1-yl}pyridine-2-carboxamide |
|
| MYB | Name: | Decarboxylated Myriocin | Formula: | C20 H39 N O4 | SMILES: | O=C(CCCCCC)CCCCCC/C=C/CC(O)C(O)C(N)CO | InChi: | InChI=1S/C20H39NO4/c1-2-3-4-10-13-17(23)14-11-8-6-5-7-9-12-15-19(24)20(25)18(21)16-22/h9,12,18-20,22,24-25H,2-8,10-11,13-16,21H2,1H3/b12-9+/t18-,19+,20+/m0/s1 | Definition date: | 2013-03-22 | Last modified: | 2014-09-05 | Release date: | 2013-09-04 | Identifier: | (14E,17R,18R,19S)-19-amino-17,18,20-trihydroxyicos-14-en-7-one |
|
| 7RD | Name: | (R,E)-3-(4-AZIDOBUTYL)-4-HYDROXY-5-METHYL-5-(2-METHYLBUTA-1,3-DIEN-1-YL)THIOPHEN-2(5H)-ONE | Formula: | C14 H19 N3 O2 S | SMILES: | O=C1SC(/C=C(/C=C)C)(C(O)=C1CCCC/N=[N+]=[N-])C | InChi: | InChI=1S/C14H19N3O2S/c1-4-10(2)9-14(3)12(18)11(13(19)20-14)7-5-6-8-16-17-15/h4,9,18H,1,5-8H2,2-3H3/b10-9+/t14-/m1/s1 | Definition date: | 2013-09-19 | Last modified: | 2014-09-05 | Release date: | 2013-10-09 | Identifier: | (5R)-3-(4-azidobutyl)-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one |
|
| 5EY | Name: | (3R)-3-(3-hydroxy-3-oxopropyl)-6-[(E)-[(2R)-2-oxidanyl-2,3-dihydroinden-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid | Formula: | C22 H20 O7 | SMILES: | O=C(O)c1c(ccc2OCC(Oc12)CCC(=O)O)/C=C4c3ccccc3CC4O | InChi: | InChI=1S/C22H20O7/c23-17-10-12-3-1-2-4-15(12)16(17)9-13-5-7-18-21(20(13)22(26)27)29-14(11-28-18)6-8-19(24)25/h1-5,7,9,14,17,23H,6,8,10-11H2,(H,24,25)(H,26,27)/b16-9+/t14-,17-/m1/s1 | Definition date: | 2013-11-14 | Last modified: | 2014-09-05 | Release date: | 2013-11-27 | Identifier: | (3R)-3-(2-carboxyethyl)-6-{(E)-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-ylidene]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid |
|
| ODO | Name: | 4-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]benzene-1,3-diol | Formula: | C8 H9 N O3 | SMILES: | N(/O)=C(c1ccc(O)cc1O)C | InChi: | InChI=1S/C8H9NO3/c1-5(9-12)7-3-2-6(10)4-8(7)11/h2-4,10-12H,1H3/b9-5+ | Definition date: | 2012-10-05 | Last modified: | 2014-09-05 | Release date: | 2013-06-26 | Identifier: | 4-[(1E)-N-hydroxyethanimidoyl]benzene-1,3-diol |
|
| PHX | Name: | 4-{[(Z)-(5-OXO-2-PHENYL-1,3-OXAZOL-4(5H)-YLIDENE)METHYL]AMINO}BUTANOIC ACID | Formula: | C14 H14 N2 O4 | SMILES: | O=C1OC(=NC1=CNCCCC(=O)O)c2ccccc2 | InChi: | InChI=1S/C14H14N2O4/c17-12(18)7-4-8-15-9-11-14(19)20-13(16-11)10-5-2-1-3-6-10/h1-3,5-6,9,15H,4,7-8H2,(H,17,18) | Definition date: | 2006-04-09 | Last modified: | 2014-09-05 | Identifier: | 4-{[(E)-(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]amino}butanoic acid |
|
| D1A | Name: | N-[4-[(E)-N-carbamimidamido-C-methyl-carbonimidoyl]phenyl]-7-nitro-1H-indole-2-carboxamide | Formula: | C18 H17 N7 O3 | SMILES: | [O-][N+](=O)c1cccc2c1nc(c2)C(=O)Nc3ccc(C(=NNC(=[N@H])N)C)cc3 | InChi: | InChI=1S/C18H17N7O3/c1-10(23-24-18(19)20)11-5-7-13(8-6-11)21-17(26)14-9-12-3-2-4-15(25(27)28)16(12)22-14/h2-9,22H,1H3,(H,21,26)(H4,19,20,24)/b23-10+ | Definition date: | 2009-01-06 | Last modified: | 2014-09-05 | Identifier: | N-{4-[(1E)-1-(2-carbamimidoylhydrazinylidene)ethyl]phenyl}-7-nitro-1H-indole-2-carboxamide |
|
| 8PW | Name: | (2S,4R)-N-(1-cyanocyclopropyl)-1-(1-methylcyclopropanecarbonyl)-4-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide | Formula: | C23 H25 F6 N3 O5 S | SMILES: | O=S(=O)(c1ccc(OCC(F)(F)F)cc1C(F)(F)F)C4CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C3(C)CC3)C4 | InChi: | InChI=1S/C23H25F6N3O5S/c1-20(4-5-20)19(34)32-10-14(9-16(32)18(33)31-21(11-30)6-7-21)38(35,36)17-3-2-13(37-12-22(24,25)26)8-15(17)23(27,28)29/h2-3,8,11,14,16,30H,4-7,9-10,12H2,1H3,(H,31,33)/b30-11+/t14-,16+/m1/s1 | Definition date: | 2013-06-03 | Last modified: | 2014-09-05 | Release date: | 2014-06-18 | Identifier: | (4R)-N-{1-[(E)-iminomethyl]cyclopropyl}-1-[(1-methylcyclopropyl)carbonyl]-4-{[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonyl}-L-prolinamide |
|
| 8Y6 | Name: | 4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3H-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid | Formula: | C25 H14 F2 N4 O5 | SMILES: | O=C1c2cc(c(F)cc2N=CN1)Cn4c(c(c5c3occc3c(F)cc45)C6=CC=CNC6=O)C(=O)O | InChi: | InChI=1S/C25H14F2N4O5/c26-15-7-17-14(24(33)30-10-29-17)6-11(15)9-31-18-8-16(27)12-3-5-36-22(12)20(18)19(21(31)25(34)35)13-2-1-4-28-23(13)32/h1-8,10H,9H2,(H,28,32)(H,34,35)(H,29,30,33) | Definition date: | 2012-10-24 | Last modified: | 2014-09-05 | Release date: | 2013-10-09 | Identifier: | 4-fluoro-6-[(7-fluoro-4-oxo-3,4-dihydroquinazolin-6-yl)methyl]-8-(2-oxo-1,2-dihydropyridin-3-yl)-6H-furo[2,3-e]indole-7-carboxylic acid |
|
| D51 | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,7aS)-1-amino-1,10,11-trimethyl-4,6-dioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate | Formula: | C37 H48 N10 O15 P2 | SMILES: | O=C4NC(=O)NC5N(c1cc(c(cc1N3C(N)(C)CC(c2ccccc2)C345)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC8OC(n7cnc6c(ncnc67)N)C(O)C8O | InChi: | InChI=1S/C37H48N10O15P2/c1-17-9-21-22(10-18(17)2)47-36(3,39)11-20(19-7-5-4-6-8-19)37(47)33(43-35(54)44-34(37)53)45(21)12-23(48)27(50)24(49)13-59-63(55,56)62-64(57,58)60-14-25-28(51)29(52)32(61-25)46-16-42-26-30(38)40-15-41-31(26)46/h4-10,15-16,20,23-25,27-29,32-33,48-52H,11-14,39H2,1-3H3,(H,55,56)(H,57,58)(H2,38,40,41)(H2,43,44,53,54)/t20-,23-,24+,25+,27-,28+,29+,32+,33-,36+,37-/m0/s1 | Definition date: | 2014-08-05 | Last modified: | 2014-09-05 | Release date: | 2014-09-10 | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,7aS)-1-amino-1,10,11-trimethyl-4,6-dioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
|
| H1I | Name: | N-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide | Formula: | C31 H30 N4 O4 S2 | SMILES: | O=C(NS(=O)(=O)c1cccc(c1)c2oc(cc2)/C(=N/Nc3nc4ccccc4s3)C)CCCCCc5ccccc5 | InChi: | InChI=1S/C31H30N4O4S2/c1-22(33-34-31-32-26-16-8-9-17-29(26)40-31)27-19-20-28(39-27)24-14-10-15-25(21-24)41(37,38)35-30(36)18-7-3-6-13-23-11-4-2-5-12-23/h2,4-5,8-12,14-17,19-21H,3,6-7,13,18H2,1H3,(H,32,34)(H,35,36)/b33-22+ | Definition date: | 2013-01-22 | Last modified: | 2014-09-05 | Release date: | 2013-04-24 | Identifier: | N-{[3-(5-{(1E)-1-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]ethyl}furan-2-yl)phenyl]sulfonyl}-6-phenylhexanamide |
|
| 1GZ | Name: | methylthioacryloyl-CoA | Formula: | C25 H40 N7 O17 P3 S2 | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C=CSC | InChi: | InChI=1S/C25H40N7O17P3S2/c1-25(2,20(36)23(37)28-6-4-15(33)27-7-9-54-16(34)5-8-53-3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h5,8,12-14,18-20,24,35-36H,4,6-7,9-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b8-5+/t14-,18-,19-,20+,24-/m1/s1 | Definition date: | 2013-02-01 | Last modified: | 2014-09-05 | Release date: | 2013-06-05 | Identifier: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2E)-3-(methylsulfanyl)prop-2-enethioate (non-preferred name) |
|