 | | FD5 | | Name: | [5-[3-[2-[[4-[2-[1-azanyl-7-[2-[4-[methyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]hydrazinyl]-8-oxidanyl-3,6-bis[tris(oxidanyl)-$l^{4}-sulfanyl]naphthalen-2-yl]hydrazinyl]phenyl]-bis(oxidanyl)-$l^{4}-sulfanyl]ethoxy]-7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate | | Formula: | C42 H54 N9 O21 P S4 | | SMILES: | Cc1cc2N=C3C(=O)N(OCC[S](O)(O)c4ccc(NNc5c(N)c6c(O)c(NNc7ccc(cc7)[S](C)(O)O)c(cc6cc5[S](O)(O)O)[S](O)(O)O)cc4)C(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C | | InChi: | InChI=1S/C42H45N9O21PS4/c1-20-14-27-28(15-21(20)2)50(18-29(52)38(54)30(53)19-72-73(58,59)60)40-37(44-27)41(56)51(42(57)45-40)71-12-13-75(63,64)26-10-6-24(7-11-26)46-48-35-31(76(65,66)67)16-22-17-32(77(68,69)70)36(39(55)33(22)34(35)43)49-47-23-4-8-25(9-5-23)74(3,61)62/h4-12,16-17,46-49,55,61-70H,13,18-19,43H2,1-3H3,(H2,58,59,60)/q-1/p-2 | | Synonyms: | FAD DERIVATIVE | | Definition date: | 2013-08-12 | | Last modified: | 2021-03-01 | | Release date: | 2013-10-30 | | Identifier: | [5-[3-[2-[[4-[2-[1-azanyl-7-[2-[4-[methyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]hydrazinyl]-8-oxidanyl-3,6-bis[tris(oxidanyl)-$l^{4}-sulfanyl]naphthalen-2-yl]hydrazinyl]phenyl]-bis(oxidanyl)-$l^{4}-sulfanyl]ethoxy]-7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate |
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 | | FD6 | | Name: | N-[2-(2-chloranylphenothiazin-10-yl)ethyl]-4-methyl-piperazin-1-amine | | Formula: | C19 H23 Cl N4 S | | SMILES: | CN1CCN(CC1)NCCN2c3ccccc3Sc4ccc(Cl)cc24 | | InChi: | InChI=1S/C19H23ClN4S/c1-22-10-12-23(13-11-22)21-8-9-24-16-4-2-3-5-18(16)25-19-7-6-15(20)14-17(19)24/h2-7,14,21H,8-13H2,1H3 | | Synonyms: | FD16 | | Definition date: | 2016-03-10 | | Last modified: | 2021-03-01 | | Release date: | 2017-01-25 | | Identifier: | N-[2-(2-chloranylphenothiazin-10-yl)ethyl]-4-methyl-piperazin-1-amine |
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 | | 0GV | | Name: | (3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one | | Formula: | C27 H44 O2 | | SMILES: | O=C1C=C4C(C3C1C2C(C(C(C)CCCC(C)C)CC2)(C)CC3)(CCC(O)C4)C | | InChi: | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1 | | Synonyms: | 7-ketocholesterol | | Definition date: | 2012-01-13 | | Last modified: | 2021-03-01 | | Release date: | 2013-01-04 | | Identifier: | (3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one |
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 | | 0HG | | Name: | N-[(4S)-4-ammonio-4-carboxybutanoyl]-S-(4-bromobenzyl)-L-cysteinylglycine | | Formula: | C17 H23 Br N3 O6 S | | SMILES: | Brc1ccc(cc1)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)[NH3+] | | InChi: | InChI=1S/C17H22BrN3O6S/c18-11-3-1-10(2-4-11)8-28-9-13(16(25)20-7-15(23)24)21-14(22)6-5-12(19)17(26)27/h1-4,12-13H,5-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/p+1/t12-,13-/m0/s1 | | Synonyms: | S-(p-bromobenzyl)-glutathione | | Definition date: | 2008-09-14 | | Last modified: | 2021-03-01 | | Identifier: | N-[(4S)-4-ammonio-4-carboxybutanoyl]-S-(4-bromobenzyl)-L-cysteinylglycine |
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 | | 0HK | | Name: | (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane | | Formula: | C19 H22 N O4 S2 | | SMILES: | O=C(OC3CC1[N+](C)(C)C(C2OC12)C3)C(O)(c4sccc4)c5sccc5 | | InChi: | InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+ | | Synonyms: | Tiotropium | | Definition date: | 2012-01-18 | | Last modified: | 2021-03-01 | | Identifier: | (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane |
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 | | FDU | | Name: | 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione | | Formula: | C11 H11 F N2 O5 | | SMILES: | O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C2F)CO | | InChi: | InChI=1S/C11H11FN2O5/c1-2-5-3-14(11(18)13-9(5)17)10-7(12)8(16)6(4-15)19-10/h1,3,6-8,10,15-16H,4H2,(H,13,17,18)/t6-,7+,8-,10-/m1/s1 | | Synonyms: | (2'S)-2'-DEOXY-2'-FLUORO-5-ETHYNYLURIDINE | | Definition date: | 2014-02-12 | | Last modified: | 2021-03-01 | | Release date: | 2014-08-13 | | Identifier: | 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione |
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 | | 0IV | | Name: | 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide | | Formula: | C23 H34 N6 O5 S | | SMILES: | O=C(NC(C=O)CC1CCCN(C(=[N@H])N)C1)CN3C(=O)C(NS(=O)(=O)Cc2ccccc2)CCC3 | | InChi: | InChI=1S/C23H34N6O5S/c24-23(25)29-11-4-8-18(13-29)12-19(15-30)26-21(31)14-28-10-5-9-20(22(28)32)27-35(33,34)16-17-6-2-1-3-7-17/h1-3,6-7,15,18-20,27H,4-5,8-14,16H2,(H3,24,25)(H,26,31)/t18-,19+,20+/m1/s1 | | Synonyms: | CVS1694 | | Definition date: | 2008-11-06 | | Last modified: | 2021-03-01 | | Identifier: | 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide |
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 | | FEX | | Name: | METHYL 3-{3-[(CYCLOHEXYLCARBONYL){[4'-(DIMETHYLAMINO)BIPHENYL-4-YL]METHYL}AMINO]PHENYL}ACRYLATE | | Formula: | C32 H38 N2 O3 | | SMILES: | O=C(N(c1cccc(c1)CCC(=O)OC)Cc3ccc(c2ccc(N(C)C)cc2)cc3)C4CCCCC4 | | InChi: | InChI=1S/C32H38N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h7-8,11-13,15-20,22,28H,4-6,9-10,14,21,23H2,1-3H3 | | Synonyms: | FEXARAMINE | | Definition date: | 2003-03-20 | | Last modified: | 2021-03-01 | | Identifier: | methyl 3-{3-[(cyclohexylcarbonyl){[4'-(dimethylamino)biphenyl-4-yl]methyl}amino]phenyl}propanoate |
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 | | FFA | | Name: | (10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE | | Formula: | C19 H28 O2 | | SMILES: | O=C4C=C3C(C2CCC1(C(CCC1O)C2CC3)C)(C)CC4 | | InChi: | InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1 | | Synonyms: | EPI-TESTOSTERONE | | Definition date: | 2006-10-16 | | Last modified: | 2021-03-01 | | Identifier: | (10alpha,13alpha,14beta,17alpha)-17-hydroxyandrost-4-en-3-one |
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 | | FFT | | Name: | (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate | | Formula: | C15 H27 O4 P | | SMILES: | O=P(OCC=C(/CC/C=C(/C)CCC=C(/C)C)C)(O)O | | InChi: | InChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/b14-9-,15-11- | | Synonyms: | farnesyl monophosphate | | Definition date: | 2011-11-03 | | Last modified: | 2021-03-01 | | Identifier: | (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate |
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 | | 0K7 | | Name: | 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid | | Formula: | C11 H9 N O2 S | | SMILES: | O=C(O)c1nc(sc1)c2ccc(cc2)C | | InChi: | InChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14) | | Synonyms: | MO07123 | | Definition date: | 2012-01-30 | | Last modified: | 2021-03-01 | | Release date: | 2012-12-07 | | Identifier: | 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid |
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 | | 0KV | | Name: | 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide | | Formula: | C23 H34 N6 O5 S | | SMILES: | O=C(NC(C=O)CC1CCCN(C(=[N@H])N)C1)CN3C(=O)C(NS(=O)(=O)Cc2ccccc2)CCC3 | | InChi: | InChI=1S/C23H34N6O5S/c24-23(25)29-11-4-8-18(13-29)12-19(15-30)26-21(31)14-28-10-5-9-20(22(28)32)27-35(33,34)16-17-6-2-1-3-7-17/h1-3,6-7,15,18-20,27H,4-5,8-14,16H2,(H3,24,25)(H,26,31)/t18-,19-,20-/m0/s1 | | Synonyms: | CVS1695 | | Definition date: | 2010-06-25 | | Last modified: | 2021-03-01 | | Identifier: | 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide |
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 | | FGT | | Name: | 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one | | Formula: | C20 H14 O4 | | SMILES: | Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4 | | InChi: | InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H | | Synonyms: | phenolphthalein | | Definition date: | 2018-06-30 | | Last modified: | 2021-03-01 | | Release date: | 2019-06-05 | | Identifier: | 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one |
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 | | FHC | | Name: | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROPENEOATE | | Formula: | C9 H6 F O3 | | SMILES: | [O-]C(=O)C(/F)=Cc1ccc(O)cc1 | | InChi: | InChI=1S/C9H7FO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-5,11H,(H,12,13)/p-1/b8-5+ | | Synonyms: | (E)-2-FLUORO-P-HYDROXYCINNAMATE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2E)-2-fluoro-3-(4-hydroxyphenyl)prop-2-enoate |
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 | | GPI | | Name: | (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE | | Formula: | C20 H28 N2 O4 | | SMILES: | O=C(OCCCc1cccnc1)C2N(C(=O)C(=O)C(C)(C)CC)CCC2 | | InChi: | InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1 | | Synonyms: | GPI-1046 | | Definition date: | 2000-06-16 | | Last modified: | 2021-03-01 | | Identifier: | 3-pyridin-3-ylpropyl 1-(3,3-dimethyl-2-oxopentanoyl)-L-prolinate |
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 | | 0NQ | | Name: | N-{(1S)-3-[(5S)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide | | Formula: | C24 H37 N4 O6 P S | | SMILES: | O=S(=O)(Nc1ccc2c(c1)P(=O)(N=C(N2)C3=C(O)C(N(C3=O)CCC(C)(C)C)C(C)(C)C)OCC)C | | InChi: | InChI=1S/C24H37N4O6PS/c1-9-34-35(31)17-14-15(27-36(8,32)33)10-11-16(17)25-21(26-35)18-19(29)20(24(5,6)7)28(22(18)30)13-12-23(2,3)4/h10-11,14,20,27,29H,9,12-13H2,1-8H3,(H,25,26,31)/t20-,35+/m1/s1 | | Synonyms: | IDX375 | | Definition date: | 2012-03-23 | | Last modified: | 2021-03-01 | | Release date: | 2013-03-27 | | Identifier: | N-{(1S)-3-[(5S)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide |
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 | | 0OD | | Name: | trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+) | | Formula: | C21 H32 Cl3 N3 O2 Rh S | | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)NCCc37c4(C)c5(C)c6(C)C3(C)[Rh+]4567(Cl)(Cl)Cl | | InChi: | InChI=1S/C21H32N3O2S.3ClH.Rh/c1-12-13(2)15(4)16(14(12)3)9-10-22-19(25)8-6-5-7-18-20-17(11-27-18)23-21(26)24-20 | | Synonyms: | [Cp*(Biot-methylene)RhCl(H2O)2]+ | | Definition date: | 2012-08-21 | | Last modified: | 2021-03-01 | | Release date: | 2013-02-08 | | Identifier: | trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+) |
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 | | 0OM | | Name: | benzyl pyridine-3-carboxylate | | Formula: | C13 H11 N O2 | | SMILES: | O=C(OCc1ccccc1)c2cccnc2 | | InChi: | InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2 | | Synonyms: | Benzyl nicotinate | | Definition date: | 2012-04-03 | | Last modified: | 2021-03-01 | | Release date: | 2012-11-30 | | Identifier: | benzyl pyridine-3-carboxylate |
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 | | 0ON | | Name: | N-phenylpyridine-3-carboxamide | | Formula: | C12 H10 N2 O | | SMILES: | O=C(Nc1ccccc1)c2cccnc2 | | InChi: | InChI=1S/C12H10N2O/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11/h1-9H,(H,14,15) | | Synonyms: | N-phenylnicotinamide | | Definition date: | 2012-04-03 | | Last modified: | 2021-03-01 | | Release date: | 2012-11-30 | | Identifier: | N-phenylpyridine-3-carboxamide |
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 | | 0PJ | | Name: | N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-leucine | | Formula: | C21 H34 N3 O7 P | | SMILES: | O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C)CC(C)C | | InChi: | InChI=1S/C21H34N3O7P/c1-14(2)10-17(19(25)23-18(20(26)27)11-15(3)4)24-32(29,30)13-22-21(28)31-12-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30)/t17-,18-/m0/s1 | | Synonyms: | ZGPLL | | Definition date: | 2008-09-14 | | Last modified: | 2021-03-01 | | Identifier: | N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-leucine |
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 | | 0PK | | Name: | N-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-L-leucyl-L-alanine | | Formula: | C25 H34 N3 O7 P | | SMILES: | O=C(O)C(NC(=O)C(NP(=O)(O)C(NC(=O)OCc1ccccc1)Cc2ccccc2)CC(C)C)C | | InChi: | InChI=1S/C25H34N3O7P/c1-17(2)14-21(23(29)26-18(3)24(30)31)28-36(33,34)22(15-19-10-6-4-7-11-19)27-25(32)35-16-20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3,(H,26,29)(H,27,32)(H,30,31)(H2,28,33,34)/t18-,21-,22+/m0/s1 | | Synonyms: | ZFPLA | | Definition date: | 2008-09-14 | | Last modified: | 2021-03-01 | | Identifier: | N-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-L-leucyl-L-alanine |
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 | | 0PR | | Name: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-tyrosine | | Formula: | C17 H21 N2 O8 P | | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)Cc2ccc(O)cc2 | | InChi: | InChI=1S/C17H21N2O8P/c1-10-16(21)14(12(7-18-10)9-27-28(24,25)26)8-19-15(17(22)23)6-11-2-4-13(20)5-3-11/h2-5,7,15,19-21H,6,8-9H2,1H3,(H,22,23)(H2,24,25,26)/t15-/m0/s1 | | Synonyms: | PHOSPHO-5'-PYRIDOXYL TYROSINE | | Definition date: | 2008-11-10 | | Last modified: | 2021-03-01 | | Release date: | 2018-09-19 | | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-tyrosine |
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 | | 0Q4 | | Name: | N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide | | Formula: | C40 H70 N11 O8 | | SMILES: | O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C(NCC(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)C(C)C)CC(C)C)Cc1ccccc1)CCC(=O)O)C)CCCC | | InChi: | InChI=1S/C40H69N11O8/c1-7-8-16-29(34(42)54)49-35(55)25(6)47-37(57)30(17-18-32(52)53)50-38(58)31(21-26-13-10-9-11-14-26)46-22-27(20-23(2)3)48-39(59)33(24(4)5)51-36(56)28(41)15-12-19-45-40(43)44/h9-11,13-14,23-25,27-31,33,46H,7-8,12,15-22,41H2,1-6H3,(H2,42,54)(H,47,57)(H,48,59)(H,49,55)(H,50,58)(H,51,56)(H,52,53)(H4,43,44,45)/p+1/t25-,27-,28-,29-,30-,31-,33-/m0/s1 | | Synonyms: | Inhibitor analogues of CA-p2 | | Definition date: | 2008-09-14 | | Last modified: | 2021-03-01 | | Identifier: | N-[(2S)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide |
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 | | 0QB | | Name: | (2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-{(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-2-[(3R)-1,5,5-trimethyl-2-oxopyrrolidin-3-yl]ethyl}-N~4~-[2-(dimethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide | | Formula: | C36 H54 N6 O5 S | | SMILES: | O=C1N(C)C(C)(C)CC1C(O)C(NC(=O)C(Cc2nc(sc2)N)CC(=O)N(CC(=O)N(C)C)C(c3ccccc3)C)CC4CCCCC4 | | InChi: | InChI=1S/C36H54N6O5S/c1-23(25-15-11-8-12-16-25)42(21-31(44)40(4)5)30(43)19-26(18-27-22-48-35(37)38-27)33(46)39-29(17-24-13-9-7-10-14-24)32(45)28-20-36(2,3)41(6)34(28)47/h8,11-12,15-16,22-24,26,28-29,32,45H,7,9-10,13-14,17-21H2,1-6H3,(H2,37,38)(H,39,46)/t23-,26+,28-,29-,32-/m0/s1 | | Synonyms: | P2-P3 butanediamide renin inhibitor (3) | | Definition date: | 2008-11-12 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-{(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-2-[(3R)-1,5,5-trimethyl-2-oxopyrrolidin-3-yl]ethyl}-N~4~-[2-(dimethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide |
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 | | 0RQ | | Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(4-oxidanylidenepentylamino)propyl]amino]butyl] hydrogen phosphate | | Formula: | C24 H40 N7 O17 P3 | | SMILES: | O=C(C)CCCNC(=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/C24H40N7O17P3/c1-13(32)5-4-7-26-15(33)6-8-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-14-18(47-49(37,38)39)17(34)23(46-14)31-12-30-16-20(25)28-11-29-21(16)31/h11-12,14,17-19,23,34-35H,4-10H2,1-3H3,(H,26,33)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t14-,17-,18-,19+,23-/m1/s1 | | Synonyms: | dethiaacetyl-coenzyme A | | Definition date: | 2012-05-06 | | Last modified: | 2021-03-01 | | Release date: | 2012-10-05 | | 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-[(4-oxopentyl)amino]propyl}amino)butyl dihydrogen diphosphate (non-preferred name) |
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