 | | 18V | | Name: | 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine | | Formula: | C20 H24 F N5 O2 S2 | | SMILES: | FCCOc1c(OC)ccc(c1)c2nc(c(s2)CCC)CSc3nc(N)cc(n3)N | | InChi: | InChI=1S/C20H24FN5O2S2/c1-3-4-16-13(11-29-20-25-17(22)10-18(23)26-20)24-19(30-16)12-5-6-14(27-2)15(9-12)28-8-7-21/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H4,22,23,25,26) | | Definition date: | 2013-04-05 | | Last modified: | 2014-01-17 | | Release date: | 2014-01-22 | | Identifier: | 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine |
|
 | | R4M | | Name: | (2E,6Z,8E)-3,7-dimethyl-8-[(4R)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-2,6-dienoic acid | | Formula: | C21 H26 O2 | | SMILES: | O=C(O)C=C(/C)CC/C=C(C=C2c1c(cccc1)C(CC2)C)C | | InChi: | InChI=1S/C21H26O2/c1-15(7-6-8-16(2)14-21(22)23)13-18-12-11-17(3)19-9-4-5-10-20(18)19/h4-5,7,9-10,13-14,17H,6,8,11-12H2,1-3H3,(H,22,23)/b15-7-,16-14+,18-13+/t17-/m1/s1 | | Definition date: | 2013-09-13 | | Last modified: | 2014-01-17 | | Release date: | 2014-01-22 | | Identifier: | (2E,6Z,8E)-3,7-dimethyl-8-[(4R)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-2,6-dienoic acid |
|
 | | 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 |
|
 | | 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 |
|
 | | G7K | | Name: | trans-4-({4-[difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl}amino)cyclohexanol | | Formula: | C24 H23 F3 N6 O2 S | | SMILES: | Fc1ccc(cc1)C(F)(F)c2nc(nc(c2)Nc3nc4ccc(nc4s3)OC)NC5CCC(O)CC5 | | InChi: | InChI=1S/C24H23F3N6O2S/c1-35-20-11-10-17-21(33-20)36-23(29-17)32-19-12-18(24(26,27)13-2-4-14(25)5-3-13)30-22(31-19)28-15-6-8-16(34)9-7-15/h2-5,10-12,15-16,34H,6-9H2,1H3,(H2,28,29,30,31,32)/t15-,16- | | Definition date: | 2013-07-10 | | Last modified: | 2014-01-17 | | Release date: | 2014-01-22 | | Identifier: | trans-4-({4-[difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl}amino)cyclohexanol |
|
 | | 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 |
|
 | | 2JQ | | Name: | 2-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid | | Formula: | C15 H11 F3 N2 O3 | | SMILES: | O=C(Nc1nc(ccc1)C)c2ccc(cc2C(=O)O)C(F)(F)F | | InChi: | InChI=1S/C15H11F3N2O3/c1-8-3-2-4-12(19-8)20-13(21)10-6-5-9(15(16,17)18)7-11(10)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21) | | Definition date: | 2013-11-06 | | Last modified: | 2014-01-17 | | Release date: | 2014-01-22 | | Identifier: | 2-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid |
|
 | | 2JU | | Name: | 2'-deoxy-5-[(naphthalen-1-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate) | | Formula: | C21 H22 N3 O9 P | | SMILES: | O=P(O)(O)OCC4OC(N3C(=O)NC(=O)C(C(=O)NCc2c1ccccc1ccc2)=C3)CC4O | | InChi: | InChI=1S/C21H22N3O9P/c25-16-8-18(33-17(16)11-32-34(29,30)31)24-10-15(20(27)23-21(24)28)19(26)22-9-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,10,16-18,25H,8-9,11H2,(H,22,26)(H,23,27,28)(H2,29,30,31)/t16-,17+,18+/m0/s1 | | Definition date: | 2013-11-12 | | Last modified: | 2014-01-17 | | Release date: | 2014-01-22 | | Identifier: | 2'-deoxy-5-[(naphthalen-1-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate) |
|
 | | 29V | | Name: | (3E,6Z,8E)-3,7-dimethyl-8-[(4S)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-3,6-dienoic acid | | Formula: | C21 H26 O2 | | SMILES: | O=C(O)CC(=CC/C=C(C=C2c1c(cccc1)C(CC2)C)C)C | | InChi: | InChI=1S/C21H26O2/c1-15(7-6-8-16(2)14-21(22)23)13-18-12-11-17(3)19-9-4-5-10-20(18)19/h4-5,7-10,13,17H,6,11-12,14H2,1-3H3,(H,22,23)/b15-7-,16-8+,18-13+/t17-/m0/s1 | | Definition date: | 2013-09-13 | | Last modified: | 2014-01-17 | | Release date: | 2014-01-22 | | Identifier: | (3E,6Z,8E)-3,7-dimethyl-8-[(4S)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-3,6-dienoic acid |
|
 | | 29X | | Name: | 5-{[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-1H-isoindol-1-one | | Formula: | C20 H19 F N2 O2 | | SMILES: | Fc1ccc(cc1)C4CCNCC4COc3cc2C=NC(=O)c2cc3 | | InChi: | InChI=1S/C20H19FN2O2/c21-16-3-1-13(2-4-16)18-7-8-22-10-15(18)12-25-17-5-6-19-14(9-17)11-23-20(19)24/h1-6,9,11,15,18,22H,7-8,10,12H2/t15-,18-/m0/s1 | | Definition date: | 2013-09-16 | | Last modified: | 2014-01-17 | | Release date: | 2014-01-22 | | Identifier: | 5-{[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-1H-isoindol-1-one |
|
 | | I1S | | Name: | [(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid | | Formula: | C16 H18 N O5 P | | SMILES: | O=P(O)(O)C(NC(=O)OCc1ccccc1)Cc2ccccc2 | | InChi: | InChI=1S/C16H18NO5P/c18-16(22-12-14-9-5-2-6-10-14)17-15(23(19,20)21)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,17,18)(H2,19,20,21)/t15-/m0/s1 | | Definition date: | 2011-03-08 | | Last modified: | 2014-01-17 | | Release date: | 2014-01-22 | | Identifier: | [(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid |
|
 | | CXT | | Name: | Carboxyatractyloside | | Formula: | C31 H46 O18 S2 | | SMILES: | O=C(O)C4(C(=O)O)C5CCC12CC(/C(=C)C1O)CCC2C5(CC(OC3OC(C(OS(=O)(=O)O)C(OS(=O)(=O)O)C3OC(=O)CC(C)C)CO)C4)C | | InChi: | InChI=1S/C31H46O18S2/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)/t16-,17+,18-,19+,20+,22-,23+,24-,25+,26-,29+,30-/m1/s1 | | Definition date: | 2003-07-21 | | Last modified: | 2014-01-14 | | Identifier: | (2alpha,8alpha,10alpha,13alpha,15beta)-15-hydroxy-2-{[2-O-(3-methylbutanoyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl]oxy}kaur-16-ene-18,19-dioic acid |
|
 | | L46 | | Name: | 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide | | Formula: | C11 H16 N2 O2 | | SMILES: | O=C(c1c(c(c(n1)C)C(=O)C)CC)NC | | InChi: | InChI=1S/C11H16N2O2/c1-5-8-9(7(3)14)6(2)13-10(8)11(15)12-4/h13H,5H2,1-4H3,(H,12,15) | | Definition date: | 2013-08-19 | | Last modified: | 2014-01-10 | | Release date: | 2014-01-15 | | Identifier: | 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide |
|
 | | 1MX | | Name: | 2-amino-4-oxo-N-{2-[(phenylcarbamoyl)amino]ethyl}-3,4-dihydropteridine-7-carboxamide | | Formula: | C16 H16 N8 O3 | | SMILES: | O=C(Nc1ccccc1)NCCNC(=O)c2nc3N=C(N)NC(=O)c3nc2 | | InChi: | InChI=1S/C16H16N8O3/c17-15-23-12-11(14(26)24-15)20-8-10(22-12)13(25)18-6-7-19-16(27)21-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,18,25)(H2,19,21,27)(H3,17,22,23,24,26) | | Definition date: | 2013-10-18 | | Last modified: | 2014-01-10 | | Release date: | 2014-01-15 | | Identifier: | 2-amino-4-oxo-N-{2-[(phenylcarbamoyl)amino]ethyl}-3,4-dihydropteridine-7-carboxamide |
|
 | | MJU | | Name: | (3S)-1-[2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-amine | | Formula: | C21 H18 N8 S | | SMILES: | n2c(nc(c3c1ccccc1nc23)N4CCC(N)C4)Sc5cc6nccnc6nc5 | | InChi: | InChI=1S/C21H18N8S/c22-12-5-8-29(11-12)20-17-14-3-1-2-4-15(14)26-19(17)27-21(28-20)30-13-9-16-18(25-10-13)24-7-6-23-16/h1-4,6-7,9-10,12H,5,8,11,22H2,(H,26,27,28)/t12-/m0/s1 | | Definition date: | 2013-05-23 | | Last modified: | 2014-01-10 | | Release date: | 2014-01-15 | | Identifier: | (3S)-1-[2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-amine |
|
 | | 920 | | Name: | 4-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine | | Formula: | C23 H25 F N8 O | | SMILES: | Fc4cc3c2c(nc(Oc1cnc(nc1)C)nc2nc3c(NC)c4)N6CC5C(N)CC5(C)C6 | | InChi: | InChI=1S/C23H25FN8O/c1-11-27-7-13(8-28-11)33-22-30-20-18(14-4-12(24)5-17(26-3)19(14)29-20)21(31-22)32-9-15-16(25)6-23(15,2)10-32/h4-5,7-8,15-16,26H,6,9-10,25H2,1-3H3,(H,29,30,31)/t15-,16-,23-/m1/s1 | | Definition date: | 2013-05-21 | | Last modified: | 2014-01-10 | | Release date: | 2014-01-15 | | Identifier: | 4-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine |
|
 | | DOO | | Name: | 6-fluoro-4-[(3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine | | Formula: | C22 H23 F N8 O | | SMILES: | Fc4cc3c2c(nc(Oc1cnc(nc1)C)nc2nc3c(NC)c4)N6CC5CCNC5C6 | | InChi: | InChI=1S/C22H23FN8O/c1-11-26-7-14(8-27-11)32-22-29-20-18(15-5-13(23)6-16(24-2)19(15)28-20)21(30-22)31-9-12-3-4-25-17(12)10-31/h5-8,12,17,24-25H,3-4,9-10H2,1-2H3,(H,28,29,30)/t12-,17+/m1/s1 | | Definition date: | 2013-04-23 | | Last modified: | 2014-01-10 | | Release date: | 2014-01-15 | | Identifier: | 6-fluoro-4-[(3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine |
|
 | | 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 |
|
 | | 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 |
|
 | | 5MX | | Name: | benzyl (2-{[(2-amino-4-oxo-3,4-dihydropteridin-7-yl)carbonyl]amino}ethyl)carbamate | | Formula: | C17 H17 N7 O4 | | SMILES: | O=C(OCc1ccccc1)NCCNC(=O)c2nc3N=C(N)NC(=O)c3nc2 | | InChi: | InChI=1S/C17H17N7O4/c18-16-23-13-12(15(26)24-16)21-8-11(22-13)14(25)19-6-7-20-17(27)28-9-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,19,25)(H,20,27)(H3,18,22,23,24,26) | | Definition date: | 2013-10-18 | | Last modified: | 2014-01-10 | | Release date: | 2014-01-15 | | Identifier: | benzyl (2-{[(2-amino-4-oxo-3,4-dihydropteridin-7-yl)carbonyl]amino}ethyl)carbamate |
|
 | | HTT | | Name: | 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1,5-naphthyridin-1(4H)-ol | | Formula: | C20 H22 Cl N7 O S | | SMILES: | Clc3c(nc2nc(nc(N1CCC(N)C1)c23)Sc4cc5c(nc4)CC=CN5O)CC | | InChi: | InChI=1S/C20H22ClN7OS/c1-2-13-17(21)16-18(24-13)25-20(26-19(16)27-7-5-11(22)10-27)30-12-8-15-14(23-9-12)4-3-6-28(15)29/h3,6,8-9,11,29H,2,4-5,7,10,22H2,1H3,(H,24,25,26)/t11-/m1/s1 | | Definition date: | 2013-05-21 | | Last modified: | 2014-01-10 | | Release date: | 2014-01-15 | | Identifier: | 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1,5-naphthyridin-1(4H)-ol |
|
 | | 1FB | | Name: | 1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | | Formula: | C15 H16 Cl N5 O | | SMILES: | Clc3cccc(Oc2nn(c1ncnc(c12)N)C(C)(C)C)c3 | | InChi: | InChI=1S/C15H16ClN5O/c1-15(2,3)21-13-11(12(17)18-8-19-13)14(20-21)22-10-6-4-5-9(16)7-10/h4-8H,1-3H3,(H2,17,18,19) | | Definition date: | 2013-01-15 | | Last modified: | 2014-01-10 | | Release date: | 2014-01-15 | | Identifier: | 1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
|
 | | 21H | | Name: | oxydimethanol | | Formula: | C2 H6 O3 | | SMILES: | OCOCO | | InChi: | InChI=1S/C2H6O3/c3-1-5-2-4/h3-4H,1-2H2 | | Definition date: | 2013-08-16 | | Last modified: | 2014-01-10 | | Release date: | 2014-01-15 | | Identifier: | oxydimethanol |
|
 | | 21Q | | Name: | 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide | | Formula: | C20 H27 N3 O5 S | | SMILES: | O=C(c1c(c(c(n1)C)C(=O)C)CC)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC | | InChi: | InChI=1S/C20H27N3O5S/c1-6-15-18(13(5)24)12(4)21-19(15)20(26)22-16-11-14(9-10-17(16)25)29(27,28)23(7-2)8-3/h9-11,21,25H,6-8H2,1-5H3,(H,22,26) | | Definition date: | 2013-08-19 | | Last modified: | 2014-01-10 | | Release date: | 2014-01-15 | | Identifier: | 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide |
|
 | | 27S | | Name: | (5R,9R,10S)-10-(acetylamino)-2-amino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]deca-2,6-diene-7-carboxylic acid | | Formula: | C16 H23 N3 O5 S | | SMILES: | O=C(O)C2=CC1(SC(=NC1=O)N)C(NC(=O)C)C(OC(CC)CC)C2 | | InChi: | InChI=1S/C16H23N3O5S/c1-4-10(5-2)24-11-6-9(13(21)22)7-16(12(11)18-8(3)20)14(23)19-15(17)25-16/h7,10-12H,4-6H2,1-3H3,(H,18,20)(H,21,22)(H2,17,19,23)/t11-,12+,16-/m1/s1 | | Definition date: | 2013-09-06 | | Last modified: | 2014-01-10 | | Release date: | 2014-01-15 | | Identifier: | (5R,9R,10S)-10-(acetylamino)-2-amino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]deca-2,6-diene-7-carboxylic acid |
|
