 | | 3KU | | Name: | N-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide | | Formula: | C25 H37 N5 O2 | | SMILES: | O=C1N(C(=[N@H])NC1(CC3CCCC(NC(=O)c2ccncc2)C3)CCC4CCCCC4)C | | InChi: | InChI=1S/C25H37N5O2/c1-30-23(32)25(29-24(30)26,13-10-18-6-3-2-4-7-18)17-19-8-5-9-21(16-19)28-22(31)20-11-14-27-15-12-20/h11-12,14-15,18-19,21H,2-10,13,16-17H2,1H3,(H2,26,29)(H,28,31)/t19-,21+,25+/m0/s1 | | Definition date: | 2014-09-08 | | Last modified: | 2020-06-27 | | Release date: | 2014-11-05 | | Identifier: | N-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide |
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 | | 3KW | | Name: | (2E,5R)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one | | Formula: | C28 H39 N5 O | | SMILES: | O=C1N(C(=[N@H])NC1(CC4CCCC(Nc2nc3c(cc2)cccc3)C4)CCC5CCCCC5)C | | InChi: | InChI=1S/C28H39N5O/c1-33-26(34)28(32-27(33)29,17-16-20-8-3-2-4-9-20)19-21-10-7-12-23(18-21)30-25-15-14-22-11-5-6-13-24(22)31-25/h5-6,11,13-15,20-21,23H,2-4,7-10,12,16-19H2,1H3,(H2,29,32)(H,30,31)/t21-,23+,28+/m0/s1 | | Definition date: | 2014-09-08 | | Last modified: | 2020-06-27 | | Release date: | 2014-11-05 | | Identifier: | (2E,5R)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one |
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 | | 59M | | Name: | 4-{4-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine | | Formula: | C15 H14 F4 N6 S2 | | SMILES: | c14c(c(ncn1)N2CCN(CC2)c3sc(nn3)CF)cc(CC(F)(F)F)s4 | | InChi: | InChI=1S/C15H14F4N6S2/c16-7-11-22-23-14(27-11)25-3-1-24(2-4-25)12-10-5-9(6-15(17,18)19)26-13(10)21-8-20-12/h5,8H,1-4,6-7H2 | | Definition date: | 2015-08-27 | | Last modified: | 2020-06-27 | | Release date: | 2015-09-09 | | Identifier: | 4-{4-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine |
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 | | 5AR | | Name: | (2S)-2-amino-4-[5-(4-aminobutyl)-1,3,4-oxadiazol-2-yl]butanoic acid | | Formula: | C10 H18 N4 O3 | | SMILES: | O=C(C(N)CCc1nnc(o1)CCCCN)O | | InChi: | InChI=1S/C10H18N4O3/c11-6-2-1-3-8-13-14-9(17-8)5-4-7(12)10(15)16/h7H,1-6,11-12H2,(H,15,16)/t7-/m0/s1 | | Definition date: | 2015-08-31 | | Last modified: | 2020-06-27 | | Release date: | 2016-02-10 | | Identifier: | (2S)-2-amino-4-[5-(4-aminobutyl)-1,3,4-oxadiazol-2-yl]butanoic acid |
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 | | 5FT | | Name: | phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | | Formula: | C26 H24 O6 S2 | | SMILES: | Cc1cc(ccc1O)C3=C(c2ccc(c(c2)C)O)C4S(C3CC4S(=O)(=O)Oc5ccccc5)=O | | InChi: | InChI=1S/C26H24O6S2/c1-15-12-17(8-10-20(15)27)24-22-14-23(34(30,31)32-19-6-4-3-5-7-19)26(33(22)29)25(24)18-9-11-21(28)16(2)13-18/h3-13,22-23,26-28H,14H2,1-2H3/t22-,23-,26+,33-/m0/s1 | | Definition date: | 2015-09-22 | | Last modified: | 2020-06-27 | | Release date: | 2016-05-04 | | Identifier: | phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide |
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 | | 5FV | | Name: | phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | | Formula: | C26 H24 O6 S2 | | SMILES: | Cc1cc(O)ccc1C3=C(c2ccc(O)cc2C)C4S(=O)C3CC4S(=O)(=O)Oc5ccccc5 | | InChi: | InChI=1S/C26H24O6S2/c1-15-12-17(27)8-10-20(15)24-22-14-23(34(30,31)32-19-6-4-3-5-7-19)26(33(22)29)25(24)21-11-9-18(28)13-16(21)2/h3-13,22-23,26-28H,14H2,1-2H3/t22-,23-,26+,33-/m0/s1 | | Definition date: | 2015-09-22 | | Last modified: | 2020-06-27 | | Release date: | 2016-05-04 | | Identifier: | phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide |
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 | | 5FY | | Name: | 4-hydroxyphenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | | Formula: | C26 H24 O7 S2 | | SMILES: | Cc1cc(O)ccc1C3=C(c2c(cc(cc2)O)C)C4S(C3CC4S(=O)(=O)Oc5ccc(O)cc5)=O | | InChi: | InChI=1S/C26H24O7S2/c1-14-11-17(28)5-9-20(14)24-22-13-23(35(31,32)33-19-7-3-16(27)4-8-19)26(34(22)30)25(24)21-10-6-18(29)12-15(21)2/h3-12,22-23,26-29H,13H2,1-2H3/t22-,23-,26+,34-/m0/s1 | | Definition date: | 2015-09-22 | | Last modified: | 2020-06-27 | | Release date: | 2016-05-04 | | Identifier: | 4-hydroxyphenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide |
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 | | 5IR | | Name: | [N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamidato]iridium(III) | | Formula: | C18 H26 Ir N5 O4 S2 | | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)Nc3ccc(cc3)S(=O)(=O)[N-]4[Ir+3]NCC4 | | InChi: | InChI=1S/C18H26N5O4S2.Ir/c19-9-10-20-29(26,27)13-7-5-12(6-8-13)21-16(24)4-2-1-3-15-17-14(11-28-15)22-18(25)23-17 | | Definition date: | 2014-01-28 | | Last modified: | 2020-06-27 | | Release date: | 2014-11-05 | | Identifier: | [N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamidato]iridium(III) |
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 | | 5LQ | | Name: | 5-(3-chlorophenyl)-4-methyl-~{N}-(3-morpholin-4-ylpropyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine | | Formula: | C17 H22 Cl N3 O3 S | | SMILES: | CC1=C(c2cccc(Cl)c2)[S](=O)(=O)N=C1NCCCN3CCOCC3 | | InChi: | InChI=1S/C17H22ClN3O3S/c1-13-16(14-4-2-5-15(18)12-14)25(22,23)20-17(13)19-6-3-7-21-8-10-24-11-9-21/h2,4-5,12H,3,6-11H2,1H3,(H,19,20) | | Definition date: | 2015-10-20 | | Last modified: | 2020-06-27 | | Release date: | 2016-03-30 | | Identifier: | 5-(3-chlorophenyl)-4-methyl-~{N}-(3-morpholin-4-ylpropyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine |
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 | | 3U3 | | Name: | N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide | | Formula: | C9 H17 N O4 | | SMILES: | O=C(NC1C(C(O)C(O)C(O)C1)C)C | | InChi: | InChI=1S/C9H17NO4/c1-4-6(10-5(2)11)3-7(12)9(14)8(4)13/h4,6-9,12-14H,3H2,1-2H3,(H,10,11)/t4-,6+,7-,8-,9+/m1/s1 | | Definition date: | 2014-10-29 | | Last modified: | 2020-06-27 | | Release date: | 2014-11-05 | | Identifier: | N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide |
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 | | 3YE | | Name: | (S)-2-(8-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)octanamido)pentanedioic acid | | Formula: | C19 H27 N5 O6 | | SMILES: | N1=C(NC(=O)c2cc(nc12)CCCCCCCC(NC(C(O)=O)CCC(=O)O)=O)N | | InChi: | InChI=1S/C19H27N5O6/c20-19-23-16-12(17(28)24-19)10-11(21-16)6-4-2-1-3-5-7-14(25)22-13(18(29)30)8-9-15(26)27/h10,13H,1-9H2,(H,22,25)(H,26,27)(H,29,30)(H4,20,21,23,24,28)/t13-/m0/s1 | | Definition date: | 2014-12-10 | | Last modified: | 2020-06-27 | | Release date: | 2016-04-20 | | Identifier: | N-[8-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)octanoyl]-L-glutamic acid |
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 | | 56B | | Name: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-(5-O-phosphono-beta-D-ribofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | | Formula: | C17 H24 N5 O10 P | | SMILES: | n2(cc(CNC1C(O)C(O)C=C1)c3c2N=C(N)NC3=O)C4C(O)C(O)C(O4)COP(=O)(O)O | | InChi: | InChI=1S/C17H24N5O10P/c18-17-20-14-10(15(27)21-17)6(3-19-7-1-2-8(23)11(7)24)4-22(14)16-13(26)12(25)9(32-16)5-31-33(28,29)30/h1-2,4,7-9,11-13,16,19,23-26H,3,5H2,(H2,28,29,30)(H3,18,20,21,27)/t7-,8-,9+,11+,12+,13+,16+/m0/s1 | | Definition date: | 2015-08-03 | | Last modified: | 2020-06-27 | | Release date: | 2016-09-28 | | Identifier: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-(5-O-phosphono-beta-D-ribofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
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 | | NQS | | Name: | 2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione | | Formula: | C12 H10 O3 S | | SMILES: | O=C2c1c(cccc1)C(=O)C(SCCO)=C2 | | InChi: | InChI=1S/C12H10O3S/c13-5-6-16-11-7-10(14)8-3-1-2-4-9(8)12(11)15/h1-4,7,13H,5-6H2 | | Definition date: | 2014-04-24 | | Last modified: | 2020-06-27 | | Release date: | 2014-11-05 | | Identifier: | 2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione |
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 | | V56 | | Name: | (4S,7S,17S)-17-(3-chlorophenyl)-7-(hydroxymethyl)-4-(2-methylpropyl)-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione | | Formula: | C24 H36 Cl N3 O5 | | SMILES: | O=C1OC(CCCCCNC(CCC(NC(C(N1)CC(C)C)=O)CO)=O)c2cc(ccc2)Cl | | InChi: | InChI=1S/C24H36ClN3O5/c1-16(2)13-20-23(31)27-19(15-29)10-11-22(30)26-12-5-3-4-9-21(33-24(32)28-20)17-7-6-8-18(25)14-17/h6-8,14,16,19-21,29H,3-5,9-13,15H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)/t19-,20-,21-/m0/s1 | | Definition date: | 2016-09-30 | | Last modified: | 2020-06-27 | | Release date: | 2017-01-11 | | Identifier: | (4S,7S,17S)-17-(3-chlorophenyl)-7-(hydroxymethyl)-4-(2-methylpropyl)-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione |
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 | | G6R | | Name: | N-[(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-[(3S,3aR,5S,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]acetamide | | Formula: | C34 H42 F2 N4 O6 S2 | | SMILES: | c7c(CC(C(CN(CC(C)C)S(c1ccc2c(c1)sc(n2)NC3CC3)(=O)=O)O)NC(CC6C5CC4C6COC4OC5)=O)cc(cc7F)F | | InChi: | InChI=1S/C34H42F2N4O6S2/c1-18(2)14-40(48(43,44)24-5-6-28-31(12-24)47-34(39-28)37-23-3-4-23)15-30(41)29(9-19-7-21(35)11-22(36)8-19)38-32(42)13-25-20-10-26-27(25)17-46-33(26)45-16-20/h5-8,11-12,18,20,23,25-27,29-30,33,41H,3-4,9-10,13-17H2,1-2H3,(H,37,39)(H,38,42)/t20-,25+,26-,27+,29+,30-,33+/m1/s1 | | Definition date: | 2019-12-31 | | Last modified: | 2020-06-26 | | Release date: | 2020-07-01 | | Identifier: | N-[(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-[(3S,3aR,5S,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]acetamide |
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 | | J1X | | Name: | 3-(1H-pyrazol-1-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide | | Formula: | C18 H12 F3 N7 O | | SMILES: | C(=O)(c1cc(C(F)(F)F)cc(c1)n2cccn2)Nc3cccc(c3)c4nnnn4 | | InChi: | InChI=1S/C18H12F3N7O/c19-18(20,21)13-7-12(9-15(10-13)28-6-2-5-22-28)17(29)23-14-4-1-3-11(8-14)16-24-26-27-25-16/h1-10H,(H,23,29)(H,24,25,26,27) | | Definition date: | 2019-04-24 | | Last modified: | 2020-06-26 | | Release date: | 2020-07-01 | | Identifier: | 3-(1H-pyrazol-1-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide |
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 | | K3Q | | Name: | 3,6-O-dimethyl-D-glucose | | Formula: | C8 H16 O6 | | SMILES: | COC[CH]1O[CH](O)[CH](O)[CH](OC)[CH]1O | | InChi: | InChI=1S/C8H16O6/c1-12-3-4-5(9)7(13-2)6(10)8(11)14-4/h4-11H,3H2,1-2H3/t4-,5-,6-,7+,8-/m1/s1 | | Definition date: | 2019-04-17 | | Last modified: | 2020-06-26 | | Release date: | 2020-07-01 | | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{R})-4-methoxy-6-(methoxymethyl)oxane-2,3,5-triol |
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 | | FN0 | | Name: | (3S)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one | | Formula: | C17 H21 F3 O3 | | SMILES: | CC(C)(C)c1cc(c2OC(=O)[C](O)(c2c1)C(F)(F)F)C(C)(C)C | | InChi: | InChI=1S/C17H21F3O3/c1-14(2,3)9-7-10(15(4,5)6)12-11(8-9)16(22,13(21)23-12)17(18,19)20/h7-8,22H,1-6H3/t16-/m0/s1 | | Definition date: | 2020-06-03 | | Last modified: | 2020-06-26 | | Release date: | 2020-07-01 | | Identifier: | (3~{S})-5,7-di~{tert}-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one |
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 | | M83 | | Name: | 5-(3-cyanophenyl)furan-2-carboxylic acid | | Formula: | C12 H7 N O3 | | SMILES: | OC(=O)c1oc(cc1)c2cccc(c2)C#N | | InChi: | InChI=1S/C12H7NO3/c13-7-8-2-1-3-9(6-8)10-4-5-11(16-10)12(14)15/h1-6H,(H,14,15) | | Definition date: | 2020-06-05 | | Last modified: | 2020-06-26 | | Release date: | 2020-07-01 | | Identifier: | 5-(3-cyanophenyl)furan-2-carboxylic acid |
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 | | MH5 | | Name: | 3-[(5-methylthiophen-2-yl)methylamino]benzoic acid | | Formula: | C13 H13 N O2 S | | SMILES: | Cc1sc(CNc2cccc(c2)C(O)=O)cc1 | | InChi: | InChI=1S/C13H13NO2S/c1-9-5-6-12(17-9)8-14-11-4-2-3-10(7-11)13(15)16/h2-7,14H,8H2,1H3,(H,15,16) | | Definition date: | 2019-10-14 | | Last modified: | 2020-06-26 | | Release date: | 2020-07-01 | | Identifier: | 3-[(5-methylthiophen-2-yl)methylamino]benzoic acid |
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 | | N3G | | Name: | N-{[4-(6-amino-9H-purin-9-yl)butyl]sulfamoyl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | | Formula: | C19 H29 N9 O4 S2 | | SMILES: | c2nc1c(N)ncnc1n2CCCCNS(NC(CCCCC4C3NC(=O)NC3CS4)=O)(=O)=O | | InChi: | InChI=1S/C19H29N9O4S2/c20-17-16-18(22-10-21-17)28(11-23-16)8-4-3-7-24-34(31,32)27-14(29)6-2-1-5-13-15-12(9-33-13)25-19(30)26-15/h10-13,15,24H,1-9H2,(H,27,29)(H2,20,21,22)(H2,25,26,30)/t12-,13-,15-/m0/s1 | | Definition date: | 2019-05-01 | | Last modified: | 2020-06-26 | | Release date: | 2020-07-01 | | Identifier: | N-{[4-(6-amino-9H-purin-9-yl)butyl]sulfamoyl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide |
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 | | OO4 | | Name: | methyl [(1S)-1-cyclopropyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate | | Formula: | C32 H41 N3 O8 | | SMILES: | c1(ccccc1)CC(C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)NC(=O)C(C5CC5)NC(OC)=O | | InChi: | InChI=1S/C32H41N3O8/c1-40-31(38)35-28(22-12-13-22)29(37)34-25(17-21-10-6-3-7-11-21)26(36)18-23(16-20-8-4-2-5-9-20)33-32(39)43-27-19-42-30-24(27)14-15-41-30/h2-11,22-28,30,36H,12-19H2,1H3,(H,33,39)(H,34,37)(H,35,38)/t23-,24-,25-,26-,27-,28-,30+/m0/s1 | | Definition date: | 2019-07-02 | | Last modified: | 2020-06-26 | | Release date: | 2020-07-01 | | Identifier: | methyl [(1S)-1-cyclopropyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate |
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 | | OO7 | | Name: | N-{[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl}-N'-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea | | Formula: | C24 H22 F3 N5 O3 | | SMILES: | C(F)(F)(F)Oc4c(CNC(Nc2c(c1ccccc1)nc3n2ccnc3C)=O)cc(cc4)COC | | InChi: | InChI=1S/C24H22F3N5O3/c1-15-21-30-20(17-6-4-3-5-7-17)22(32(21)11-10-28-15)31-23(33)29-13-18-12-16(14-34-2)8-9-19(18)35-24(25,26)27/h3-12H,13-14H2,1-2H3,(H2,29,31,33) | | Definition date: | 2019-07-02 | | Last modified: | 2020-06-26 | | Release date: | 2020-07-01 | | Identifier: | N-{[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl}-N'-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea |
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 | | OP7 | | Name: | methyl [(1S)-1-cyclopentyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate | | Formula: | C34 H45 N3 O8 | | SMILES: | c5c(CC(C(CC(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)NC(C(C4CCCC4)NC(OC)=O)=O)cccc5 | | InChi: | InChI=1S/C34H45N3O8/c1-42-33(40)37-30(24-14-8-9-15-24)31(39)36-27(19-23-12-6-3-7-13-23)28(38)20-25(18-22-10-4-2-5-11-22)35-34(41)45-29-21-44-32-26(29)16-17-43-32/h2-7,10-13,24-30,32,38H,8-9,14-21H2,1H3,(H,35,41)(H,36,39)(H,37,40)/t25-,26-,27-,28-,29-,30-,32+/m0/s1 | | Definition date: | 2019-07-02 | | Last modified: | 2020-06-26 | | Release date: | 2020-07-01 | | Identifier: | methyl [(1S)-1-cyclopentyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate |
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 | | OPJ | | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate | | Formula: | C33 H43 N3 O8 | | SMILES: | c1(ccccc1)CC(C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)NC(=O)C5(CCCC5)NC(=O)OC | | InChi: | InChI=1S/C33H43N3O8/c1-41-32(40)36-33(15-8-9-16-33)30(38)35-26(19-23-12-6-3-7-13-23)27(37)20-24(18-22-10-4-2-5-11-22)34-31(39)44-28-21-43-29-25(28)14-17-42-29/h2-7,10-13,24-29,37H,8-9,14-21H2,1H3,(H,34,39)(H,35,38)(H,36,40)/t24-,25-,26-,27-,28-,29+/m0/s1 | | Definition date: | 2019-07-02 | | Last modified: | 2020-06-26 | | Release date: | 2020-07-01 | | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate |
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