 | | OBC | | Name: | 2-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | | Formula: | C24 H19 F O6 S | | SMILES: | O=S(=O)(Oc1ccccc1F)C2CC5OC2C(c3ccc(O)cc3)=C5c4ccc(O)cc4 | | InChi: | InChI=1S/C24H19FO6S/c25-18-3-1-2-4-19(18)31-32(28,29)21-13-20-22(14-5-9-16(26)10-6-14)23(24(21)30-20)15-7-11-17(27)12-8-15/h1-12,20-21,24,26-27H,13H2/t20-,21+,24+/m0/s1 | | Definition date: | 2015-05-07 | | Last modified: | 2020-06-01 | | Release date: | 2016-05-04 | | Identifier: | 2-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
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 | | OBH | | Name: | cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | | Formula: | C24 H22 O6 S | | SMILES: | c1cc(O)ccc1C3=C(c2ccc(O)cc2)C4OC3CC4S(=O)(=O)OC5C=CCC=C5 | | InChi: | InChI=1S/C24H22O6S/c25-17-10-6-15(7-11-17)22-20-14-21(31(27,28)30-19-4-2-1-3-5-19)24(29-20)23(22)16-8-12-18(26)13-9-16/h2-13,19-21,24-26H,1,14H2/t20-,21+,24+/m0/s1 | | Definition date: | 2015-05-05 | | Last modified: | 2020-06-01 | | Release date: | 2015-09-09 | | Identifier: | cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
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 | | 4ZN | | Name: | (2S)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid | | Formula: | C14 H22 N O4 P | | SMILES: | NC(c1ccccc1)P(CC(CC(C)C)C(=O)O)(O)=O | | InChi: | InChI=1S/C14H22NO4P/c1-10(2)8-12(14(16)17)9-20(18,19)13(15)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,15H2,1-2H3,(H,16,17)(H,18,19)/t12-,13-/m1/s1 | | Definition date: | 2015-07-02 | | Last modified: | 2020-06-01 | | Release date: | 2015-10-07 | | Identifier: | (2S)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid |
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 | | 0B1 | | Name: | 2-amino-6-[(1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3H)-one | | Formula: | C21 H21 N3 O2 | | SMILES: | O=C1C=C(N=C(N)N1C)C4CC4c3cccc(c2cccc(OC)c2)c3 | | InChi: | InChI=1S/C21H21N3O2/c1-24-20(25)12-19(23-21(24)22)18-11-17(18)15-7-3-5-13(9-15)14-6-4-8-16(10-14)26-2/h3-10,12,17-18H,11H2,1-2H3,(H2,22,23)/t17-,18-/m0/s1 | | Definition date: | 2012-07-26 | | Last modified: | 2020-06-01 | | Release date: | 2012-10-19 | | Identifier: | 2-amino-6-[(1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3H)-one |
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 | | SJP | | Name: | (2R,3R)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,3,4,6-tetradeoxy-beta-L-threo-hexopyranosyl)-beta-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide | | Formula: | C27 H52 F N7 O11 | | SMILES: | FC(CN)C(O)C(=O)NC4C(O)C(OC2OC(C(OC1OC(CN)CCC1N)C2O)CO)C(OC3OC(CN)CCC3N)C(N)C4 | | InChi: | InChI=1S/C27H52FN7O11/c28-12(8-31)18(37)24(40)35-16-5-15(34)21(44-25-13(32)3-1-10(6-29)41-25)23(19(16)38)46-27-20(39)22(17(9-36)43-27)45-26-14(33)4-2-11(7-30)42-26/h10-23,25-27,36-39H,1-9,29-34H2,(H,35,40)/t10-,11+,12+,13+,14+,15-,16+,17+,18-,19-,20+,21+,22+,23+,25+,26+,27-/m0/s1 | | Definition date: | 2014-03-05 | | Last modified: | 2020-06-01 | | Release date: | 2014-11-05 | | Identifier: | (2R,3R)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,3,4,6-tetradeoxy-beta-L-threo-hexopyranosyl)-beta-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide |
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 | | 8KG | | Name: | 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE | | Formula: | C21 H27 N O3 | | SMILES: | c1c(cccc1)C3(CC(=O)N2CC(O)C2)C4CC5CC3CC(C4)C5O | | InChi: | InChI=1S/C21H27NO3/c23-18-11-22(12-18)19(24)10-21(15-4-2-1-3-5-15)16-6-13-7-17(21)9-14(8-16)20(13)25/h1-5,13-14,16-18,20,23,25H,6-12H2/t13-,14+,16-,17+,20-,21-/m1/s1 | | Definition date: | 2017-02-10 | | Last modified: | 2020-06-01 | | Release date: | 2017-11-01 | | Identifier: | 1-(3-hydroxyazetidin-1-yl)-2-[(1R,2S,3S,5R,6S,7S)-6-hydroxy-2-phenyltricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one |
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 | | 4M3 | | Name: | N-(4-carbamimidoylbenzoyl)-beta-alanyl-N-[(S)-carboxy(phenyl)methyl]-L-alpha-asparagine | | Formula: | C23 H25 N5 O7 | | SMILES: | c1cc(ccc1C(NCCC(NC(C(NC(c2ccccc2)C(O)=O)=O)CC(O)=O)=O)=O)/C(N)=N | | InChi: | InChI=1S/C23H25N5O7/c24-20(25)14-6-8-15(9-7-14)21(32)26-11-10-17(29)27-16(12-18(30)31)22(33)28-19(23(34)35)13-4-2-1-3-5-13/h1-9,16,19H,10-12H2,(H3,24,25)(H,26,32)(H,27,29)(H,28,33)(H,30,31)(H,34,35)/t16-,19-/m0/s1 | | Definition date: | 2015-04-14 | | Last modified: | 2020-06-01 | | Release date: | 2015-12-16 | | Identifier: | N-(4-carbamimidoylbenzoyl)-beta-alanyl-N-[(S)-carboxy(phenyl)methyl]-L-alpha-asparagine |
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 | | YY1 | | Name: | 5-methyl-4H-1,2,4-triazole-3-thiol | | Formula: | C3 H5 N3 S | | SMILES: | Sc1nnc(n1)C | | InChi: | InChI=1S/C3H5N3S/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7) | | Definition date: | 2014-10-24 | | Last modified: | 2020-05-30 | | Release date: | 2014-11-05 | | Identifier: | 5-methyl-4H-1,2,4-triazole-3-thiol |
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 | | YY2 | | Name: | 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide | | Formula: | C14 H21 Cl N2 O3 | | SMILES: | Clc1cc(cc(OC)c1OCC(=O)NC(C)(C)C)CN | | InChi: | InChI=1S/C14H21ClN2O3/c1-14(2,3)17-12(18)8-20-13-10(15)5-9(7-16)6-11(13)19-4/h5-6H,7-8,16H2,1-4H3,(H,17,18) | | Definition date: | 2014-10-24 | | Last modified: | 2020-05-30 | | Release date: | 2014-11-05 | | Identifier: | 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide |
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 | | 2XN | | Name: | N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide | | Formula: | C20 H26 N6 O4 S3 | | SMILES: | O=S(=O)(NCCOc1c(OC)ccc(c1)c2nc(c(s2)C)C(Sc3nc(N)cc(n3)N)C)C | | InChi: | InChI=1S/C20H26N6O4S3/c1-11-18(12(2)32-20-24-16(21)10-17(22)25-20)26-19(31-11)13-5-6-14(29-3)15(9-13)30-8-7-23-33(4,27)28/h5-6,9-10,12,23H,7-8H2,1-4H3,(H4,21,22,24,25)/t12-/m1/s1 | | Definition date: | 2014-04-08 | | Last modified: | 2020-05-30 | | Release date: | 2014-11-05 | | Identifier: | N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide |
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 | | UX9 | | Name: | methyl [(2S)-1-{2-(2-{(3R,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-[4-(pyridin-4-yl)benzyl]hydrazinyl}-3,3-dimethyl-1-oxobutan-2-yl]carbamate | | Formula: | C42 H49 N5 O6 | | SMILES: | O=C(OC)NC(C(=O)NN(Cc2ccc(c1ccncc1)cc2)CCC5(C(=O)N(C4c3c(cccc3)CC4O)CC5O)Cc6ccccc6)C(C)(C)C | | InChi: | InChI=1S/C42H49N5O6/c1-41(2,3)37(44-40(52)53-4)38(50)45-46(26-29-14-16-30(17-15-29)31-18-21-43-22-19-31)23-20-42(25-28-10-6-5-7-11-28)35(49)27-47(39(42)51)36-33-13-9-8-12-32(33)24-34(36)48/h5-19,21-22,34-37,48-49H,20,23-27H2,1-4H3,(H,44,52)(H,45,50)/t34-,35-,36+,37-,42+/m1/s1 | | Definition date: | 2011-10-20 | | Last modified: | 2020-05-30 | | Release date: | 2012-11-02 | | Identifier: | methyl [(1S)-1-{[2-(2-{(3R,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-(4-pyridin-4-ylbenzyl)hydrazino]carbonyl}-2,2-dimethylpropyl]carbamate (non-preferred name) |
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 | | GES | | Name: | 3-tert-butyl-N-[(2S)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1H-pyrazole-5-carboxamide (non-preferred name) | | Formula: | C18 H30 N6 O2 | | SMILES: | C(NC(c1cc(C(C)(C)C)nn1C)=O)(CC(C)C)C(N(N(C)C#N)C)=O | | InChi: | InChI=1S/C18H30N6O2/c1-12(2)9-13(17(26)24(8)22(6)11-19)20-16(25)14-10-15(18(3,4)5)21-23(14)7/h10,12-13H,9H2,1-8H3,(H,20,25)/t13-/m0/s1 | | Definition date: | 2018-05-18 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | 3-tert-butyl-N-[(2S)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1H-pyrazole-5-carboxamide (non-preferred name) |
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 | | E4A | | Name: | (4S)-19-acetyl-4-[(1R)-1-hydroxy-2-({1-[3-(propan-2-yl)phenyl]cyclopropyl}amino)ethyl]-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one | | Formula: | C35 H43 N3 O4 | | SMILES: | C2(Cc3cc(OCCCCNc1cc(cc(c1)C(C)=O)C(N2)=O)ccc3)C(CNC4(CC4)c5cc(ccc5)C(C)C)O | | InChi: | InChI=1S/C35H43N3O4/c1-23(2)26-9-7-10-29(19-26)35(12-13-35)37-22-33(40)32-17-25-8-6-11-31(16-25)42-15-5-4-14-36-30-20-27(24(3)39)18-28(21-30)34(41)38-32/h6-11,16,18-21,23,32-33,36-37,40H,4-5,12-15,17,22H2,1-3H3,(H,38,41)/t32-,33+/m0/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (4S)-19-acetyl-4-[(1R)-1-hydroxy-2-({1-[3-(propan-2-yl)phenyl]cyclopropyl}amino)ethyl]-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one |
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 | | E4G | | Name: | (4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(2-oxopropoxy)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one | | Formula: | C34 H42 N2 O6 | | SMILES: | C2(Cc3cc(OCCCCOc1cc(cc(c1)OCC(C)=O)C(N2)=O)ccc3)C(CNCc4cc(ccc4)C(C)C)O | | InChi: | InChI=1S/C34H42N2O6/c1-23(2)27-10-6-9-26(14-27)20-35-21-33(38)32-16-25-8-7-11-29(15-25)40-12-4-5-13-41-30-17-28(34(39)36-32)18-31(19-30)42-22-24(3)37/h6-11,14-15,17-19,23,32-33,35,38H,4-5,12-13,16,20-22H2,1-3H3,(H,36,39)/t32-,33+/m0/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(2-oxopropoxy)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one |
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 | | E4J | | Name: | 2-(butylamino)-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-6-methoxypyridine-4-carboxamide | | Formula: | C28 H42 N4 O4 | | SMILES: | C(Cc1ccccc1)(NC(c2cc(NCCCC)nc(c2)OC)=O)C(O)CC(C(NCCCC)=O)C | | InChi: | InChI=1S/C28H42N4O4/c1-5-7-14-29-25-18-22(19-26(32-25)36-4)28(35)31-23(17-21-12-10-9-11-13-21)24(33)16-20(3)27(34)30-15-8-6-2/h9-13,18-20,23-24,33H,5-8,14-17H2,1-4H3,(H,29,32)(H,30,34)(H,31,35)/t20-,23+,24+/m1/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | 2-(butylamino)-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-6-methoxypyridine-4-carboxamide |
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 | | E4Y | | Name: | (2R,4S)-N-butyl-4-[(4S,6R)-16-ethoxy-12-ethyl-6-methyl-2,13-dioxo-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-trien-4-yl]-4-hydroxy-2-methylbutanamide | | Formula: | C30 H49 N3 O5 | | SMILES: | C2(CC(CCCCCN(C(=O)c1cc(cc(c1)OCC)C(N2)=O)CC)C)C(O)CC(C)C(NCCCC)=O | | InChi: | InChI=1S/C30H49N3O5/c1-6-9-14-31-28(35)22(5)17-27(34)26-16-21(4)13-11-10-12-15-33(7-2)30(37)24-18-23(29(36)32-26)19-25(20-24)38-8-3/h18-22,26-27,34H,6-17H2,1-5H3,(H,31,35)(H,32,36)/t21-,22-,26+,27+/m1/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (2R,4S)-N-butyl-4-[(4S,6R)-16-ethoxy-12-ethyl-6-methyl-2,13-dioxo-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-trien-4-yl]-4-hydroxy-2-methylbutanamide |
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 | | E51 | | Name: | (2R,4S)-N-butyl-4-[(5S,8S,10R)-5,10-dimethyl-3,3,6-trioxo-3lambda~6~-thia-7-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-8-yl]-4-hydroxy-2-methylbutanamide | | Formula: | C26 H42 N2 O5 S | | SMILES: | C1S(Cc2cc(CCC(CC(NC(C1C)=O)C(O)CC(C)C(NCCCC)=O)C)ccc2)(=O)=O | | InChi: | InChI=1S/C26H42N2O5S/c1-5-6-12-27-25(30)19(3)14-24(29)23-13-18(2)10-11-21-8-7-9-22(15-21)17-34(32,33)16-20(4)26(31)28-23/h7-9,15,18-20,23-24,29H,5-6,10-14,16-17H2,1-4H3,(H,27,30)(H,28,31)/t18-,19-,20-,23+,24+/m1/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (2R,4S)-N-butyl-4-[(5S,8S,10R)-5,10-dimethyl-3,3,6-trioxo-3lambda~6~-thia-7-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-8-yl]-4-hydroxy-2-methylbutanamide |
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 | | E5A | | Name: | (10S,13S)-13-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9,10-dimethyl-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-8,11-dione | | Formula: | C30 H43 N3 O4 | | SMILES: | C3(N(C(CCCCCOc1cc(ccc1)CC(C(CNCc2cc(ccc2)C(C)C)O)NC3=O)=O)C)C | | InChi: | InChI=1S/C30H43N3O4/c1-21(2)25-12-8-11-24(16-25)19-31-20-28(34)27-18-23-10-9-13-26(17-23)37-15-7-5-6-14-29(35)33(4)22(3)30(36)32-27/h8-13,16-17,21-22,27-28,31,34H,5-7,14-15,18-20H2,1-4H3,(H,32,36)/t22-,27-,28+/m0/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (10S,13S)-13-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9,10-dimethyl-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-8,11-dione |
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 | | E5D | | Name: | (9R,11S)-3-ethyl-11-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione | | Formula: | C31 H45 N3 O3 | | SMILES: | CCN1CCCCCC(C)CC(NC(c2cc(C1=O)ccc2)=O)C(CNCc3cc(ccc3)C(C)C)O | | InChi: | InChI=1S/C31H45N3O3/c1-5-34-16-8-6-7-11-23(4)17-28(33-30(36)26-14-10-15-27(19-26)31(34)37)29(35)21-32-20-24-12-9-13-25(18-24)22(2)3/h9-10,12-15,18-19,22-23,28-29,32,35H,5-8,11,16-17,20-21H2,1-4H3,(H,33,36)/t23-,28+,29-/m1/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (9R,11S)-3-ethyl-11-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione |
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 | | E5P | | Name: | (9R,11S)-11-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-16-(1,3-oxazol-2-yl)-3-[(1R)-1-phenylethyl]-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione | | Formula: | C40 H50 N4 O4 | | SMILES: | C3(CC(CCCCCN(C(=O)c1cc(cc(c1)c2ncco2)C(N3)=O)C(C)c4ccccc4)C)C(CNCc5cc(ccc5)C(C)C)O | | InChi: | InChI=1S/C40H50N4O4/c1-27(2)32-16-11-13-30(21-32)25-41-26-37(45)36-20-28(3)12-7-6-10-18-44(29(4)31-14-8-5-9-15-31)40(47)35-23-33(38(46)43-36)22-34(24-35)39-42-17-19-48-39/h5,8-9,11,13-17,19,21-24,27-29,36-37,41,45H,6-7,10,12,18,20,25-26H2,1-4H3,(H,43,46)/t28-,29-,36+,37-/m1/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (9R,11S)-11-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-16-(1,3-oxazol-2-yl)-3-[(1R)-1-phenylethyl]-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione |
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 | | E5V | | Name: | (4S)-4-{(S)-hydroxy[(3R,6R)-6-(methoxymethyl)morpholin-3-yl]methyl}-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one | | Formula: | C28 H39 N3 O6 | | SMILES: | COCC4OCC(C(C2Cc3cccc(OCCCCNc1cc(COC)cc(c1)C(N2)=O)c3)O)NC4 | | InChi: | InChI=1S/C28H39N3O6/c1-34-16-20-10-21-14-22(11-20)29-8-3-4-9-36-23-7-5-6-19(12-23)13-25(31-28(21)33)27(32)26-18-37-24(15-30-26)17-35-2/h5-7,10-12,14,24-27,29-30,32H,3-4,8-9,13,15-18H2,1-2H3,(H,31,33)/t24-,25+,26-,27+/m1/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (4S)-4-{(S)-hydroxy[(3R,6R)-6-(methoxymethyl)morpholin-3-yl]methyl}-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one |
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 | | E5Y | | Name: | (5S,8S,10R)-8-[(1R)-1-hydroxy-2-{[(5-propyl-1H-pyrazol-3-yl)methyl]amino}ethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione | | Formula: | C25 H45 N5 O4 | | SMILES: | c2(CNCC(C1CC(CCCCCCOCC(=O)N(C(C(N1)=O)C)C)C)O)cc(CCC)nn2 | | InChi: | InChI=1S/C25H45N5O4/c1-5-10-20-14-21(29-28-20)15-26-16-23(31)22-13-18(2)11-8-6-7-9-12-34-17-24(32)30(4)19(3)25(33)27-22/h14,18-19,22-23,26,31H,5-13,15-17H2,1-4H3,(H,27,33)(H,28,29)/t18-,19+,22+,23-/m1/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (5S,8S,10R)-8-[(1R)-1-hydroxy-2-{[(5-propyl-1H-pyrazol-3-yl)methyl]amino}ethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione |
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 | | E61 | | Name: | (10S,12S)-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-7-oxa-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one | | Formula: | C31 H47 N3 O4 | | SMILES: | C2(CC(CCOCCCCNc1cc(cc(c1)COC)C(N2)=O)C)C(CNCc3cc(ccc3)C(C)C)O | | InChi: | InChI=1S/C31H47N3O4/c1-22(2)26-9-7-8-24(15-26)19-32-20-30(35)29-14-23(3)10-13-38-12-6-5-11-33-28-17-25(21-37-4)16-27(18-28)31(36)34-29/h7-9,15-18,22-23,29-30,32-33,35H,5-6,10-14,19-21H2,1-4H3,(H,34,36)/t23-,29+,30-/m1/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (10S,12S)-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-7-oxa-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one |
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 | | E6J | | Name: | (4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(methoxymethyl)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one | | Formula: | C33 H42 N2 O5 | | SMILES: | C2(Cc3cc(OCCCCOc1cc(cc(c1)COC)C(N2)=O)ccc3)C(CNCc4cc(ccc4)C(C)C)O | | InChi: | InChI=1S/C33H42N2O5/c1-23(2)27-10-6-9-25(14-27)20-34-21-32(36)31-18-24-8-7-11-29(16-24)39-12-4-5-13-40-30-17-26(22-38-3)15-28(19-30)33(37)35-31/h6-11,14-17,19,23,31-32,34,36H,4-5,12-13,18,20-22H2,1-3H3,(H,35,37)/t31-,32+/m0/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(methoxymethyl)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one |
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 | | E6M | | Name: | (10R,12S)-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one | | Formula: | C32 H49 N3 O3 | | SMILES: | C2(CC(CCCCCCCNc1cc(cc(c1)COC)C(N2)=O)C)C(CNCc3cc(ccc3)C(C)C)O | | InChi: | InChI=1S/C32H49N3O3/c1-23(2)27-13-10-12-25(16-27)20-33-21-31(36)30-15-24(3)11-8-6-5-7-9-14-34-29-18-26(22-38-4)17-28(19-29)32(37)35-30/h10,12-13,16-19,23-24,30-31,33-34,36H,5-9,11,14-15,20-22H2,1-4H3,(H,35,37)/t24-,30+,31-/m1/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (10R,12S)-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one |
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