 | | Z30 | | Name: | (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide | | Formula: | C12 H20 N4 O | | SMILES: | O=C(c1nnc2c1CC(CC2)C(C)(C)C)NN | | InChi: | InChI=1S/C12H20N4O/c1-12(2,3)7-4-5-9-8(6-7)10(16-15-9)11(17)14-13/h7H,4-6,13H2,1-3H3,(H,14,17)(H,15,16)/t7-/m1/s1 | | Definition date: | 2011-03-25 | | Last modified: | 2012-08-03 | | Identifier: | (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide |
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 | | Z46 | | Name: | (5R)-5-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide | | Formula: | C11 H18 N4 O | | SMILES: | O=C(c1nnc2c1CC(CC2)CCC)NN | | InChi: | InChI=1S/C11H18N4O/c1-2-3-7-4-5-9-8(6-7)10(15-14-9)11(16)13-12/h7H,2-6,12H2,1H3,(H,13,16)(H,14,15)/t7-/m1/s1 | | Definition date: | 2011-04-15 | | Last modified: | 2012-08-03 | | Identifier: | (5R)-5-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide |
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 | | X03 | | Name: | (5R)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide | | Formula: | C13 H22 N4 O | | SMILES: | O=C(c1nnc2c1CC(CC2)C(C)(C)CC)NN | | InChi: | InChI=1S/C13H22N4O/c1-4-13(2,3)8-5-6-10-9(7-8)11(17-16-10)12(18)15-14/h8H,4-7,14H2,1-3H3,(H,15,18)(H,16,17)/t8-/m1/s1 | | Definition date: | 2011-02-17 | | Last modified: | 2012-08-03 | | Identifier: | (5R)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide |
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 | | X14 | | Name: | (5R)-5-(2-methylbutan-2-yl)-N-(4-sulfamoylbenzyl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide | | Formula: | C20 H28 N4 O3 S | | SMILES: | O=S(=O)(N)c1ccc(cc1)CNC(=O)c2c3c(nn2)CCC(C3)C(C)(C)CC | | InChi: | InChI=1S/C20H28N4O3S/c1-4-20(2,3)14-7-10-17-16(11-14)18(24-23-17)19(25)22-12-13-5-8-15(9-6-13)28(21,26)27/h5-6,8-9,14H,4,7,10-12H2,1-3H3,(H,22,25)(H,23,24)(H2,21,26,27)/t14-/m1/s1 | | Definition date: | 2011-02-22 | | Last modified: | 2012-08-03 | | Identifier: | (5R)-5-(2-methylbutan-2-yl)-N-(4-sulfamoylbenzyl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide |
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 | | X19 | | Name: | (5S)-N-methyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide | | Formula: | C14 H23 N3 O | | SMILES: | O=C(c1c2c(nn1)CCC(C2)C(C)(C)CC)NC | | InChi: | InChI=1S/C14H23N3O/c1-5-14(2,3)9-6-7-11-10(8-9)12(17-16-11)13(18)15-4/h9H,5-8H2,1-4H3,(H,15,18)(H,16,17)/t9-/m0/s1 | | Definition date: | 2011-02-22 | | Last modified: | 2012-08-03 | | Identifier: | (5S)-N-methyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide |
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 | | KCT | | Name: | (5S)-7-oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid | | Formula: | C21 H13 N3 O3 | | SMILES: | O=C(O)C6c5c2c1ccccc1nc2c4nc3ccccc3c4c5C(=O)N6 | | InChi: | InChI=1S/C21H13N3O3/c25-20-16-14-10-6-2-4-8-12(10)23-18(14)17-13(15(16)19(24-20)21(26)27)9-5-1-3-7-11(9)22-17/h1-8,19,22-23H,(H,24,25)(H,26,27)/t19-/m0/s1 | | Definition date: | 2012-05-09 | | Last modified: | 2012-08-03 | | Identifier: | (5S)-7-oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid |
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 | | F1S | | Name: | N-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide | | Formula: | C20 H23 Cl N8 O3 S | | SMILES: | O=S(=O)(Nc1cc(cnc1Cl)Nc3ncc(cc3c2nc(nc(n2)N)C)C4CCOCC4)C | | InChi: | InChI=1S/C20H23ClN8O3S/c1-11-25-19(28-20(22)26-11)15-7-13(12-3-5-32-6-4-12)9-24-18(15)27-14-8-16(17(21)23-10-14)29-33(2,30)31/h7-10,12,29H,3-6H2,1-2H3,(H,24,27)(H2,22,25,26,28) | | Definition date: | 2012-05-24 | | Last modified: | 2012-08-03 | | Identifier: | N-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide |
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 | | 04R | | Name: | [3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetic acid | | Formula: | C10 H11 F3 N2 O2 | | SMILES: | FC(F)(F)c1nn(c2c1CCCC2)CC(=O)O | | InChi: | InChI=1S/C10H11F3N2O2/c11-10(12,13)9-6-3-1-2-4-7(6)15(14-9)5-8(16)17/h1-5H2,(H,16,17) | | Definition date: | 2012-08-01 | | Last modified: | 2012-08-03 | | Identifier: | [3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetic acid |
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 | | O27 | | Name: | N-[(3R)-pyrrolidin-3-yl]-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | | Formula: | C23 H28 F3 N5 O2 S | | SMILES: | FC(F)(F)c1nn(c2c1CCCC2)CC(=O)Nc3sc5c(c3C(=O)NC4CCNC4)CCCC5 | | InChi: | InChI=1S/C23H28F3N5O2S/c24-23(25,26)20-14-5-1-3-7-16(14)31(30-20)12-18(32)29-22-19(15-6-2-4-8-17(15)34-22)21(33)28-13-9-10-27-11-13/h13,27H,1-12H2,(H,28,33)(H,29,32)/t13-/m1/s1 | | Definition date: | 2010-07-30 | | Last modified: | 2012-08-01 | | Identifier: | N-[(3R)-pyrrolidin-3-yl]-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
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 | | NC8 | | Name: | (3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-{[(4-bromobenzoyl)oxy]methyl}-2,3,4,7-tetrahydro-1H-azepinium | | Formula: | C30 H34 Br N4 O3 | | SMILES: | Brc1ccc(cc1)C(=O)OCC4=CC[NH2+]CC(CN(C(=O)Cc2ccc(N)cc2)Cc3ccc(N)cc3)C4 | | InChi: | InChI=1S/C30H33BrN4O3/c31-26-7-5-25(6-8-26)30(37)38-20-23-13-14-34-17-24(15-23)19-35(18-22-3-11-28(33)12-4-22)29(36)16-21-1-9-27(32)10-2-21/h1-13,24,34H,14-20,32-33H2/p+1/t24-/m1/s1 | | Definition date: | 2011-08-08 | | Last modified: | 2012-07-27 | | Identifier: | (3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-{[(4-bromobenzoyl)oxy]methyl}-2,3,4,7-tetrahydro-1H-azepinium |
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 | | NC9 | | Name: | (3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1H-azepinium | | Formula: | C23 H31 N4 O2 | | SMILES: | O=C(N(CC1CC(=CC[NH2+]C1)CO)Cc2ccc(N)cc2)Cc3ccc(N)cc3 | | InChi: | InChI=1S/C23H30N4O2/c24-21-5-1-17(2-6-21)12-23(29)27(14-18-3-7-22(25)8-4-18)15-20-11-19(16-28)9-10-26-13-20/h1-9,20,26,28H,10-16,24-25H2/p+1/t20-/m1/s1 | | Definition date: | 2011-08-08 | | Last modified: | 2012-07-27 | | Identifier: | (3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1H-azepinium |
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 | | 4SH | | Name: | N-benzyl-2-[(morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | | Formula: | C22 H27 N3 O3 S | | SMILES: | O=C(c1c3c(sc1NC(=O)CN2CCOCC2)CCCC3)NCc4ccccc4 | | InChi: | InChI=1S/C22H27N3O3S/c26-19(15-25-10-12-28-13-11-25)24-22-20(17-8-4-5-9-18(17)29-22)21(27)23-14-16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2,(H,23,27)(H,24,26) | | Definition date: | 2011-08-22 | | Last modified: | 2012-07-27 | | Identifier: | N-benzyl-2-[(morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
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 | | 2LE | | Name: | (2R,5S)-5-pentyltetrahydrofuran-2-ol | | Formula: | C9 H18 O2 | | SMILES: | OC1OC(CCCCC)CC1 | | InChi: | InChI=1S/C9H18O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8-10H,2-7H2,1H3/t8-,9+/m0/s1 | | Definition date: | 2011-08-01 | | Last modified: | 2012-07-27 | | Identifier: | (2R,5S)-5-pentyltetrahydrofuran-2-ol |
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 | | QAB | | Name: | 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid | | Formula: | C9 H11 N O2 S | | SMILES: | O=C(O)c1c2c(sc1N)CCCC2 | | InChi: | InChI=1S/C9H11NO2S/c10-8-7(9(11)12)5-3-1-2-4-6(5)13-8/h1-4,10H2,(H,11,12) | | Definition date: | 2011-08-22 | | Last modified: | 2012-07-27 | | Identifier: | 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid |
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 | | VHA | | Name: | 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine | | Formula: | C21 H21 N3 O2 S | | SMILES: | n1c2c4c(ccc(OCCCCOc3cccc(Sc(nc1N)c2)c3)c4)C | | InChi: | InChI=1S/C21H21N3O2S/c1-14-7-8-16-12-18(14)19-13-20(24-21(22)23-19)27-17-6-4-5-15(11-17)25-9-2-3-10-26-16/h4-8,11-13H,2-3,9-10H2,1H3,(H2,22,23,24) | | Definition date: | 2011-09-07 | | Last modified: | 2012-07-13 | | Identifier: | 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine |
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 | | VHC | | Name: | 4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one | | Formula: | C22 H22 N4 O2 S | | SMILES: | O=C2NCCCOc4cccc(Sc3nc(nc(c1c(cc(c2c1)C)C)c3)N)c4 | | InChi: | InChI=1S/C22H22N4O2S/c1-13-9-14(2)18-11-17(13)19-12-20(26-22(23)25-19)29-16-6-3-5-15(10-16)28-8-4-7-24-21(18)27/h3,5-6,9-12H,4,7-8H2,1-2H3,(H,24,27)(H2,23,25,26) | | Definition date: | 2011-09-07 | | Last modified: | 2012-07-13 | | Identifier: | 4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one |
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 | | VHE | | Name: | 4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-hexaene-10,16-dione | | Formula: | C19 H23 N5 O2 S | | SMILES: | O=C3NCCCNC(=O)CCSc1nc(nc(c1)c2cc3c(cc2C)C)N | | InChi: | InChI=1S/C19H23N5O2S/c1-11-8-12(2)14-9-13(11)15-10-17(24-19(20)23-15)27-7-4-16(25)21-5-3-6-22-18(14)26/h8-10H,3-7H2,1-2H3,(H,21,25)(H,22,26)(H2,20,23,24) | | Definition date: | 2011-09-07 | | Last modified: | 2012-07-13 | | Identifier: | 4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1~2,6~]docosa-1(21),2(22),3,5,17,19-hexaene-10,16-dione |
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 | | 0TT | | Name: | 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5R)-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione | | Formula: | C20 H28 N4 O10 | | SMILES: | O=C1N(C=C(C(=O)N1)CC2(C(=O)NC(=O)N(C2)C3OC(C(O)C3)CO)C)C4OC(CO)C(O)C4 | | InChi: | InChI=1S/C20H28N4O10/c1-20(8-24(19(32)22-17(20)30)15-3-11(28)13(7-26)34-15)4-9-5-23(18(31)21-16(9)29)14-2-10(27)12(6-25)33-14/h5,10-15,25-28H,2-4,6-8H2,1H3,(H,21,29,31)(H,22,30,32)/t10-,11-,12+,13+,14+,15+,20+/m0/s1 | | Definition date: | 2012-06-10 | | Last modified: | 2012-07-13 | | Identifier: | 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-({(5R)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-2,4-dioxohexahydropyrimidin-5-yl}methyl)pyrimidine-2,4(1H,3H)-dione (non-preferred name) |
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 | | 0U8 | | Name: | (1R,4R,5S,6S,7R,10R,11S,12S)-1,7-bis(hydroxymethyl)-2,8,13,14-tetraoxatricyclo[8.2.1.1~4,7~]tetradecane-5,6,11,12-tetrol | | Formula: | C12 H20 O10 | | SMILES: | O1CC3OC(OCC2OC1(CO)C(O)C2O)(CO)C(O)C3O | | InChi: | InChI=1S/C12H20O10/c13-3-11-10(18)8(16)6(22-11)2-20-12(4-14)9(17)7(15)5(21-12)1-19-11/h5-10,13-18H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1 | | Definition date: | 2012-06-15 | | Last modified: | 2012-07-13 | | Identifier: | (1R,4R,5S,6S,7R,10R,11S,12S)-1,7-bis(hydroxymethyl)-2,8,13,14-tetraoxatricyclo[8.2.1.1~4,7~]tetradecane-5,6,11,12-tetrol |
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 | | NHW | | Name: | 2-oxopentadecyl-CoA | | Formula: | C36 H64 N7 O17 P3 S | | SMILES: | O=C(CCCCCCCCCCCCC)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C36H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(44)21-64-19-18-38-27(45)16-17-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-20-26-30(59-61(49,50)51)29(46)35(58-26)43-24-42-28-32(37)40-23-41-33(28)43/h23-24,26,29-31,35,46-47H,4-22H2,1-3H3,(H,38,45)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/p-4/t26-,29-,30-,31+,35-/m1/s1 | | Definition date: | 2012-07-09 | | Last modified: | 2012-07-13 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxopentadecyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name) |
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 | | J1D | | Name: | 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine | | Formula: | C23 H30 N12 O8 S | | SMILES: | O=C2NC(=NC=1NC(C(=NC=12)C(=O)NCC(=O)NCCS(=O)(=O)CC5OC(n4cnc3c(ncnc34)N)C(O)C5O)(C)C)N | | InChi: | InChI=1S/C23H30N12O8S/c1-23(2)15(31-12-17(34-23)32-22(25)33-19(12)39)20(40)27-5-10(36)26-3-4-44(41,42)6-9-13(37)14(38)21(43-9)35-8-30-11-16(24)28-7-29-18(11)35/h7-9,13-14,21,37-38H,3-6H2,1-2H3,(H,26,36)(H,27,40)(H2,24,28,29)(H4,25,32,33,34,39)/t9-,13-,14-,21-/m1/s1 | | Definition date: | 2012-05-23 | | Last modified: | 2012-07-06 | | Identifier: | 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine |
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 | | 496 | | Name: | 2-({[4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | | Formula: | C16 H17 F3 N4 O3 S | | SMILES: | FC(F)(F)c1nn(cc1CO)CC(=O)Nc2sc3c(c2C(=O)N)CCCC3 | | InChi: | InChI=1S/C16H17F3N4O3S/c17-16(18,19)13-8(7-24)5-23(22-13)6-11(25)21-15-12(14(20)26)9-3-1-2-4-10(9)27-15/h5,24H,1-4,6-7H2,(H2,20,26)(H,21,25) | | Definition date: | 2012-05-29 | | Last modified: | 2012-07-06 | | Identifier: | 2-({[4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
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 | | 0LC | | Name: | (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide | | Formula: | C23 H25 F N4 O2 | | SMILES: | N#CC5(NC(=O)C4CCCCC4C(=O)N2Cc1c3c(nc1CC2)ccc(F)c3)CC5 | | InChi: | InChI=1S/C23H25FN4O2/c24-14-5-6-19-17(11-14)18-12-28(10-7-20(18)26-19)22(30)16-4-2-1-3-15(16)21(29)27-23(13-25)8-9-23/h5-6,11,15-16,26H,1-4,7-10,12H2,(H,27,29)/t15-,16-/m1/s1 | | Definition date: | 2012-02-13 | | Last modified: | 2012-07-06 | | Identifier: | (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide |
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 | | 0LG | | Name: | N-[(4S,8E,11S)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-N-methylmethanesulfonamide | | Formula: | C35 H44 N4 O6 S | | SMILES: | O=S(=O)(N(c1cc3cc(c1)C(=O)NC(COCC=CCC(c2ccccc2)NC3=O)C(O)CNCc4cccc(c4)C(C)C)C)C | | InChi: | InChI=1S/C35H44N4O6S/c1-24(2)27-14-10-11-25(17-27)21-36-22-33(40)32-23-45-16-9-8-15-31(26-12-6-5-7-13-26)37-34(41)28-18-29(35(42)38-32)20-30(19-28)39(3)46(4,43)44/h5-14,17-20,24,31-33,36,40H,15-16,21-23H2,1-4H3,(H,37,41)(H,38,42)/b9-8+/t31-,32-,33+/m0/s1 | | Definition date: | 2012-02-14 | | Last modified: | 2012-07-06 | | Identifier: | N-[(4S,8E,11S)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-N-methylmethanesulfonamide |
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 | | 0N1 | | Name: | (4S,8E,11R)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione | | Formula: | C34 H41 N3 O4 | | SMILES: | O=C2c4cc(C(=O)NC(COCC=CCC(c1ccccc1)N2)C(O)CNCc3cccc(c3)C(C)C)cc(c4)C | | InChi: | InChI=1S/C34H41N3O4/c1-23(2)27-13-9-10-25(18-27)20-35-21-32(38)31-22-41-15-8-7-14-30(26-11-5-4-6-12-26)36-33(39)28-16-24(3)17-29(19-28)34(40)37-31/h4-13,16-19,23,30-32,35,38H,14-15,20-22H2,1-3H3,(H,36,39)(H,37,40)/b8-7+/t30-,31+,32-/m1/s1 | | Definition date: | 2012-03-09 | | Last modified: | 2012-07-06 | | Identifier: | (4S,8E,11R)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione |
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