 | | W7P | | Name: | 5-[2-(4-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | | Formula: | C14 H12 N2 O6 | | SMILES: | O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccc(C(=O)O)cc2 | | InChi: | InChI=1S/C14H12N2O6/c17-11-9(10(13(20)21)15-14(22)16-11)6-3-7-1-4-8(5-2-7)12(18)19/h1-2,4-5H,3,6H2,(H,18,19)(H,20,21)(H2,15,16,17,22) | | Definition date: | 2013-03-13 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | 5-[2-(4-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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 | | W7Q | | Name: | 5-{2-[1-(tert-butoxycarbonyl)-2,3-dihydro-1H-indol-5-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | | Formula: | C20 H23 N3 O6 | | SMILES: | O=C(O)C=1NC(=O)NC(=O)C=1CCc2cc3c(cc2)N(C(=O)OC(C)(C)C)CC3 | | InChi: | InChI=1S/C20H23N3O6/c1-20(2,3)29-19(28)23-9-8-12-10-11(5-7-14(12)23)4-6-13-15(17(25)26)21-18(27)22-16(13)24/h5,7,10H,4,6,8-9H2,1-3H3,(H,25,26)(H2,21,22,24,27) | | Definition date: | 2013-03-13 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | 5-{2-[1-(tert-butoxycarbonyl)-2,3-dihydro-1H-indol-5-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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 | | RR2 | | Name: | (mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~4'~,N~5'~)[tetrakis(1,10-phenanthroline-kappa~2~N~1~,N~10~)]diruthenium | | Formula: | C84 H50 N16 Ru2 | | SMILES: | n2c%14cc(ccc%14nc3c%13c%12c1n(cccc1c23)[Ru]%117(n6cccc5ccc4cccn7c4c56)(n9c8c%10c(ccc8ccc9)cccn%10%11)n%12ccc%13)c%16ccc%15nc%17c%20c%19c%18c(c%17nc%15c%16)cccn%18[Ru]%24%28(n%19ccc%20)(n%22c%21c%23c(ccc%21ccc%22)cccn%23%24)n%26cccc%25ccc%27c(c%25%26)n%28ccc%27 | | InChi: | InChI=1S/C36H18N8.4C12H8N2.2Ru/c1-5-21-29(37-13-1)31-23(7-3-15-39-31)35-33(21)41-25-11-9-19(17-27(25)43-35)20-10-12-26-28(18-20)44-36-24-8-4-16-40-32(24)30-22(34(36)42-26)6-2-14-38-30 | | Definition date: | 2012-10-05 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | (mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~4'~,N~5'~)[tetrakis(1,10-phenanthroline-kappa~2~N~1~,N~10~)]diruthenium |
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 | | 2VD | | Name: | (2R)-6-bromo-9-(2-{[(1R)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | | Formula: | C24 H23 Br N2 O5 | | SMILES: | O=C(O)C(NC(=O)Cn1c3c(c2c1CC(C(=O)O)CC2)cc(Br)cc3)Cc4ccccc4 | | InChi: | InChI=1S/C24H23BrN2O5/c25-16-7-9-20-18(12-16)17-8-6-15(23(29)30)11-21(17)27(20)13-22(28)26-19(24(31)32)10-14-4-2-1-3-5-14/h1-5,7,9,12,15,19H,6,8,10-11,13H2,(H,26,28)(H,29,30)(H,31,32)/t15-,19-/m1/s1 | | Definition date: | 2014-02-24 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | (2R)-6-bromo-9-(2-{[(1R)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid |
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 | | 2VE | | Name: | (2R)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | | Formula: | C17 H17 Br N2 O5 | | SMILES: | O=C(O)CNC(=O)Cn1c3c(c2c1CC(C(=O)O)CC2)cc(Br)cc3 | | InChi: | InChI=1S/C17H17BrN2O5/c18-10-2-4-13-12(6-10)11-3-1-9(17(24)25)5-14(11)20(13)8-15(21)19-7-16(22)23/h2,4,6,9H,1,3,5,7-8H2,(H,19,21)(H,22,23)(H,24,25)/t9-/m1/s1 | | Definition date: | 2014-02-24 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | (2R)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid |
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 | | 2VF | | Name: | (2R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | | Formula: | C15 H15 Cl N2 O3 | | SMILES: | O=C(O)C3CCc2c1c(ccc(Cl)c1)n(c2C3)CC(=O)N | | InChi: | InChI=1S/C15H15ClN2O3/c16-9-2-4-12-11(6-9)10-3-1-8(15(20)21)5-13(10)18(12)7-14(17)19/h2,4,6,8H,1,3,5,7H2,(H2,17,19)(H,20,21)/t8-/m1/s1 | | Definition date: | 2014-02-24 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | (2R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid |
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 | | 2VG | | Name: | (2R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | | Formula: | C13 H12 Cl N O2 | | SMILES: | O=C(O)C3CCc2c1c(ccc(Cl)c1)nc2C3 | | InChi: | InChI=1S/C13H12ClNO2/c14-8-2-4-11-10(6-8)9-3-1-7(13(16)17)5-12(9)15-11/h2,4,6-7,15H,1,3,5H2,(H,16,17)/t7-/m1/s1 | | Definition date: | 2014-02-24 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | (2R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid |
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 | | 2VM | | Name: | (2R)-6-bromo-9-(2-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | | Formula: | C24 H23 Br N2 O5 | | SMILES: | O=C(O)C(NC(=O)Cn1c3c(c2c1CC(C(=O)O)CC2)cc(Br)cc3)Cc4ccccc4 | | InChi: | InChI=1S/C24H23BrN2O5/c25-16-7-9-20-18(12-16)17-8-6-15(23(29)30)11-21(17)27(20)13-22(28)26-19(24(31)32)10-14-4-2-1-3-5-14/h1-5,7,9,12,15,19H,6,8,10-11,13H2,(H,26,28)(H,29,30)(H,31,32)/t15-,19+/m1/s1 | | Definition date: | 2014-02-25 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | (2R)-6-bromo-9-(2-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid |
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 | | QDM | | Name: | TDP-3,6-dideoxy-3-N,N-dimethylglucose | | Formula: | C18 H31 N3 O14 P2 | | SMILES: | O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(O)C(N(C)C)C3O)C)O)O)C | | InChi: | InChI=1S/C18H31N3O14P2/c1-8-6-21(18(26)19-16(8)25)12-5-10(22)11(33-12)7-31-36(27,28)35-37(29,30)34-17-15(24)13(20(3)4)14(23)9(2)32-17/h6,9-15,17,22-24H,5,7H2,1-4H3,(H,27,28)(H,29,30)(H,19,25,26)/t9-,10+,11-,12-,13+,14-,15-,17-/m1/s1 | | Definition date: | 2014-02-17 | | Last modified: | 2014-02-21 | | Release date: | 2014-02-26 | | Identifier: | (2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | MMF | | Name: | dTDP-3-N-methylamino-3,6-dideoxygalactose | | Formula: | C17 H29 N3 O14 P2 | | SMILES: | O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(O)C(NC)C3O)C)O)O)C | | InChi: | InChI=1S/C17H29N3O14P2/c1-7-5-20(17(25)19-15(7)24)11-4-9(21)10(32-11)6-30-35(26,27)34-36(28,29)33-16-14(23)12(18-3)13(22)8(2)31-16/h5,8-14,16,18,21-23H,4,6H2,1-3H3,(H,26,27)(H,28,29)(H,19,24,25)/t8-,9+,10-,11-,12+,13+,14-,16-/m1/s1 | | Definition date: | 2014-02-17 | | Last modified: | 2014-02-21 | | Release date: | 2014-02-26 | | Identifier: | (2R,3R,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-(methylamino)tetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | JDB | | Name: | 5-[2-(7-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | | Formula: | C18 H16 N2 O5 | | SMILES: | O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2cc(OC)ccc2cc3 | | InChi: | InChI=1S/C18H16N2O5/c1-25-13-6-5-11-4-2-10(8-12(11)9-13)3-7-14-15(17(22)23)19-18(24)20-16(14)21/h2,4-6,8-9H,3,7H2,1H3,(H,22,23)(H2,19,20,21,24) | | Definition date: | 2013-02-27 | | Last modified: | 2014-02-21 | | Release date: | 2014-02-26 | | Identifier: | 5-[2-(7-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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 | | JDM | | Name: | 5-{2-[2-(hydroxymethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | | Formula: | C14 H14 N2 O5 | | SMILES: | O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccccc2CO | | InChi: | InChI=1S/C14H14N2O5/c17-7-9-4-2-1-3-8(9)5-6-10-11(13(19)20)15-14(21)16-12(10)18/h1-4,17H,5-7H2,(H,19,20)(H2,15,16,18,21) | | Definition date: | 2013-02-27 | | Last modified: | 2014-02-21 | | Release date: | 2014-02-26 | | Identifier: | 5-{2-[2-(hydroxymethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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 | | 1VW | | Name: | 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione | | Formula: | C26 H26 N6 O3 | | SMILES: | O=C2c1ccccc1C(=O)N2CC6c3ccccc3CCN6C(=O)C5CCCCC5c4nnnn4 | | InChi: | InChI=1S/C26H26N6O3/c33-24(19-10-4-3-9-18(19)23-27-29-30-28-23)31-14-13-16-7-1-2-8-17(16)22(31)15-32-25(34)20-11-5-6-12-21(20)26(32)35/h1-2,5-8,11-12,18-19,22H,3-4,9-10,13-15H2,(H,27,28,29,30)/t18-,19+,22+/m0/s1 | | Definition date: | 2013-06-24 | | Last modified: | 2014-02-14 | | Release date: | 2014-02-19 | | Identifier: | 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione |
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 | | MN9 | | Name: | 2-(ACETYLAMINO)-2-DEOXY-D-MANNOSE | | Formula: | C8 H15 N O6 | | SMILES: | O=CC(NC(=O)C)C(O)C(O)C(O)CO | | InChi: | InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m1/s1 | | Definition date: | 2009-09-05 | | Last modified: | 2014-02-14 | | Release date: | 2014-02-19 | | Identifier: | 2-(acetylamino)-2-deoxy-D-mannose |
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 | | 64I | | Name: | 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol | | Formula: | C12 H2 F8 O2 | | SMILES: | Fc1c(c(F)c(F)c(O)c1F)c2c(F)c(F)c(O)c(F)c2F | | InChi: | InChI=1S/C12H2F8O2/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h21-22H | | Definition date: | 2013-01-04 | | Last modified: | 2014-02-14 | | Release date: | 2014-02-19 | | Identifier: | 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol |
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 | | 1T5 | | Name: | 3'-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid | | Formula: | C36 H37 N5 O4 | | SMILES: | O=C(O)c1cc(C(=O)N)ccc1c2cc(cc(NC(=O)CC(C)C)c2)C5Nc3ccc(C(=[N@H])N)cc3C(c4ccccc4)(C5)C | | InChi: | InChI=1S/C36H37N5O4/c1-20(2)13-32(42)40-26-15-23(27-11-9-22(34(39)43)17-28(27)35(44)45)14-24(16-26)31-19-36(3,25-7-5-4-6-8-25)29-18-21(33(37)38)10-12-30(29)41-31/h4-12,14-18,20,31,41H,13,19H2,1-3H3,(H3,37,38)(H2,39,43)(H,40,42)(H,44,45)/t31-,36+/m0/s1 | | Definition date: | 2013-10-29 | | Last modified: | 2014-02-07 | | Release date: | 2014-02-12 | | Identifier: | 3'-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid |
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 | | 1T7 | | Name: | 3'-amino-5'-[(2S,4R)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid | | Formula: | C29 H26 N4 O2 | | SMILES: | O=C(O)c1ccccc1c2cc(cc(N)c2)C5Nc3ccc(C(=[N@H])N)cc3C(c4ccccc4)C5 | | InChi: | InChI=1S/C29H26N4O2/c30-21-13-19(22-8-4-5-9-23(22)29(34)35)12-20(14-21)27-16-24(17-6-2-1-3-7-17)25-15-18(28(31)32)10-11-26(25)33-27/h1-15,24,27,33H,16,30H2,(H3,31,32)(H,34,35)/t24-,27+/m1/s1 | | Definition date: | 2013-11-04 | | Last modified: | 2014-02-07 | | Release date: | 2014-02-12 | | Identifier: | 3'-amino-5'-[(2S,4R)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid |
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 | | Z18 | | Name: | (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethylglycinate | | Formula: | C21 H35 N O5 | | SMILES: | O=C1OC(C(C=CC(=O)C(CC(C)C(OC(=O)CN(C)C)C1C)C)C)CC | | InChi: | InChI=1S/C21H35NO5/c1-8-18-13(2)9-10-17(23)14(3)11-15(4)20(16(5)21(25)26-18)27-19(24)12-22(6)7/h9-10,13-16,18,20H,8,11-12H2,1-7H3/b10-9+/t13-,14-,15+,16-,18-,20+/m1/s1 | | Definition date: | 2013-01-22 | | Last modified: | 2014-01-24 | | Release date: | 2014-01-29 | | Identifier: | (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethylglycinate |
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 | | 2O3 | | Name: | (3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide | | Formula: | C22 H26 N4 O2 | | SMILES: | O=C2Nc1cccc(c1NC2C)C(=O)NCCCN4c3ccccc3CCC4 | | InChi: | InChI=1S/C22H26N4O2/c1-15-21(27)25-18-10-4-9-17(20(18)24-15)22(28)23-12-6-14-26-13-5-8-16-7-2-3-11-19(16)26/h2-4,7,9-11,15,24H,5-6,8,12-14H2,1H3,(H,23,28)(H,25,27)/t15-/m1/s1 | | Definition date: | 2013-12-12 | | Last modified: | 2014-01-24 | | Release date: | 2014-01-29 | | Identifier: | (3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide |
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 | | 2O4 | | Name: | (3R)-N-[3-(7-methoxy-3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide | | Formula: | C23 H28 N4 O3 | | SMILES: | O=C2Nc1cccc(c1NC2C)C(=O)NCCCN4c3cc(OC)ccc3CCC4 | | InChi: | InChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1 | | Definition date: | 2013-12-12 | | Last modified: | 2014-01-24 | | Release date: | 2014-01-29 | | Identifier: | (3R)-N-[3-(7-methoxy-3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide |
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 | | TEY | | Name: | (1R,2S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-2-yl)ethyl]cyclohexane-1,3-diol | | Formula: | C30 H48 N4 O3 | | SMILES: | n1cnnn1CCC4C(O)CC(=CC=C2/CCCC3(C)C(C(C)CCCC(O)(C)C)CCC23)C(=C)C4O | | InChi: | InChI=1S/C30H48N4O3/c1-20(8-6-15-29(3,4)37)25-12-13-26-22(9-7-16-30(25,26)5)10-11-23-18-27(35)24(28(36)21(23)2)14-17-34-32-19-31-33-34/h10-11,19-20,24-28,35-37H,2,6-9,12-18H2,1,3-5H3/b22-10+,23-11-/t20-,24+,25-,26+,27-,28-,30-/m1/s1 | | Definition date: | 2013-01-24 | | Last modified: | 2014-01-17 | | Release date: | 2014-01-22 | | Identifier: | (1S,2S,3R,5Z,7E,14beta,17alpha)-2-[2-(2H-tetrazol-2-yl)ethyl]-9,10-secocholesta-5,7,10-triene-1,3,25-triol |
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 | | TFY | | Name: | (1R,2S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-1-yl)ethyl]cyclohexane-1,3-diol | | Formula: | C30 H48 N4 O3 | | SMILES: | n1nnn(c1)CCC4C(O)CC(=CC=C2/CCCC3(C)C(C(C)CCCC(O)(C)C)CCC23)C(=C)C4O | | InChi: | InChI=1S/C30H48N4O3/c1-20(8-6-15-29(3,4)37)25-12-13-26-22(9-7-16-30(25,26)5)10-11-23-18-27(35)24(28(36)21(23)2)14-17-34-19-31-32-33-34/h10-11,19-20,24-28,35-37H,2,6-9,12-18H2,1,3-5H3/b22-10+,23-11-/t20-,24+,25-,26+,27-,28-,30-/m1/s1 | | Definition date: | 2013-01-24 | | Last modified: | 2014-01-17 | | Release date: | 2014-01-22 | | Identifier: | (1S,2S,3R,5Z,7E,14beta,17alpha)-2-[2-(1H-tetrazol-1-yl)ethyl]-9,10-secocholesta-5,7,10-triene-1,3,25-triol |
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 | | 2GO | | Name: | [methyl 9-acetyl-14-ethyl-20-hydroxy-4,8,13,18-tetramethyl-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,20,21-tetradehydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]zinc | | Formula: | C55 H70 N4 O6 Zn | | SMILES: | O=C(OC)C=3C=2C=1C(=C(C=4N=1[Zn]86N9C=2C(C=3O)=C(C9=CC=7C(=C(C(=Cc5c(C(=O)C)c(c(C=4)n56)C)N=78)C)CC)C)C)CCC(=O)OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C | | InChi: | InChI=1S/C55H72N4O6.Zn/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3 | | Definition date: | 2013-10-16 | | Last modified: | 2014-01-17 | | Release date: | 2014-01-22 | | Identifier: | [methyl 9-acetyl-14-ethyl-20-hydroxy-4,8,13,18-tetramethyl-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,20,21-tetradehydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]zinc |
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 | | 2LC | | Name: | 2-fluoro-6-[(3S)-tetrahydrofuran-3-ylamino]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide | | Formula: | C22 H26 F N3 O3 | | SMILES: | O=C4c1c(n(cc1C)c2cc(c(c(F)c2)C(=O)N)NC3CCOC3)CC(C)(C)C4 | | InChi: | InChI=1S/C22H26FN3O3/c1-12-10-26(17-8-22(2,3)9-18(27)19(12)17)14-6-15(23)20(21(24)28)16(7-14)25-13-4-5-29-11-13/h6-7,10,13,25H,4-5,8-9,11H2,1-3H3,(H2,24,28)/t13-/m0/s1 | | Definition date: | 2013-11-26 | | Last modified: | 2014-01-10 | | Release date: | 2014-01-15 | | Identifier: | 2-fluoro-6-[(3S)-tetrahydrofuran-3-ylamino]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide |
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 | | 2OJ | | Name: | N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl)piperidine-4-carboxamide | | Formula: | C40 H50 Cl N3 O14 S | | SMILES: | Clc5sc(c1onc(c1)COc4cccc(OCCCOC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)c4NC(=O)C3CCN(C(C)C)CC3)cc5 | | InChi: | InChI=1S/C40H50ClN3O14S/c1-22(2)44-15-13-27(14-16-44)39(49)42-35-29(9-7-10-30(35)53-20-28-19-31(58-43-28)33-11-12-34(41)59-33)50-17-8-18-51-40-38(56-26(6)48)37(55-25(5)47)36(54-24(4)46)32(57-40)21-52-23(3)45/h7,9-12,19,22,27,32,36-38,40H,8,13-18,20-21H2,1-6H3,(H,42,49)/t32-,36-,37+,38-,40-/m1/s1 | | Definition date: | 2013-12-16 | | Last modified: | 2014-01-10 | | Release date: | 2014-01-15 | | Identifier: | N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl)piperidine-4-carboxamide |
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