 | | OL9 | | Name: | 3-[4-[2,5-bis(fluoranyl)phenyl]-4-(4-chlorophenyl)sulfonyl-cyclohexyl]propanoic acid | | Formula: | C21 H21 Cl F2 O4 S | | SMILES: | OC(=O)CC[CH]1CC[C](CC1)(c2cc(F)ccc2F)[S](=O)(=O)c3ccc(Cl)cc3 | | InChi: | InChI=1S/C21H21ClF2O4S/c22-15-2-5-17(6-3-15)29(27,28)21(18-13-16(23)4-7-19(18)24)11-9-14(10-12-21)1-8-20(25)26/h2-7,13-14H,1,8-12H2,(H,25,26)/t14-,21+ | | Synonyms: | MK-0752 | | Definition date: | 2023-08-23 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | 3-[4-[2,5-bis(fluoranyl)phenyl]-4-(4-chlorophenyl)sulfonyl-cyclohexyl]propanoic acid |
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 | | GJX | | Name: | (1S,3R)-5-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]carbonyladamantan-2-one | | Formula: | C24 H26 N4 O4 | | SMILES: | [O-][N+](=O)c1ccc(N2CCN(CC2)C(=O)C34CC5C[CH](C3)C(=O)[CH](C5)C4)c6cccnc16 | | InChi: | InChI=1S/C24H26N4O4/c29-22-16-10-15-11-17(22)14-24(12-15,13-16)23(30)27-8-6-26(7-9-27)19-3-4-20(28(31)32)21-18(19)2-1-5-25-21/h1-5,15-17H,6-14H2/t15-,16-,17+,24- | | Definition date: | 2020-09-02 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | (1~{S},3~{R})-5-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]carbonyladamantan-2-one |
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 | | N9C | | Name: | 4,4,4-tris(fluoranyl)-N-[(2S)-1-[[(7S)-5-(2-hydroxyethyl)-6-oxidanylidene-7H-pyrido[2,3-d][3]benzazepin-7-yl]amino]-1-oxidanylidene-propan-2-yl]butanamide | | Formula: | C22 H23 F3 N4 O4 | | SMILES: | C[CH](NC(=O)CCC(F)(F)F)C(=O)N[CH]1C(=O)N(CCO)c2ncccc2c3ccccc13 | | InChi: | InChI=1S/C22H23F3N4O4/c1-13(27-17(31)8-9-22(23,24)25)20(32)28-18-15-6-3-2-5-14(15)16-7-4-10-26-19(16)29(11-12-30)21(18)33/h2-7,10,13,18,30H,8-9,11-12H2,1H3,(H,27,31)(H,28,32)/t13-,18-/m0/s1 | | Synonyms: | Crenigacestat | | Definition date: | 2023-08-22 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | 4,4,4-tris(fluoranyl)-~{N}-[(2~{S})-1-[[(7~{S})-5-(2-hydroxyethyl)-6-oxidanylidene-7~{H}-pyrido[2,3-d][3]benzazepin-7-yl]amino]-1-oxidanylidene-propan-2-yl]butanamide |
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 | | Q70 | | Name: | (2S,3R)-N'-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2,3-bis[3,3,3-tris(fluoranyl)propyl]butanediamide | | Formula: | C26 H26 F6 N4 O3 | | SMILES: | CN1C(=O)[CH](NC(=O)[CH](CCC(F)(F)F)[CH](CCC(F)(F)F)C(N)=O)N=C(c2ccccc2)c3ccccc13 | | InChi: | InChI=1S/C26H26F6N4O3/c1-36-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)34-22(24(36)39)35-23(38)17(12-14-26(30,31)32)16(21(33)37)11-13-25(27,28)29/h2-10,16-17,22H,11-14H2,1H3,(H2,33,37)(H,35,38)/t16-,17+,22+/m0/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | (2~{S},3~{R})-~{N}'-[(3~{S})-1-methyl-2-oxidanylidene-5-phenyl-3~{H}-1,4-benzodiazepin-3-yl]-2,3-bis[3,3,3-tris(fluoranyl)propyl]butanediamide |
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 | | KD9 | | Name: | 3'-O-(4-benzoylbenzoyl)adenosine 5'-(tetrahydrogen triphosphate) | | Formula: | C24 H24 N5 O15 P3 | | SMILES: | O=C(c1ccccc1)c1ccc(cc1)C(=O)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(n2cnc3c(N)ncnc32)C1O | | InChi: | InChI=1S/C24H24N5O15P3/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(41-23)10-40-46(36,37)44-47(38,39)43-45(33,34)35)42-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35)/t16-,19-,20-,23-/m1/s1 | | Definition date: | 2023-08-10 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | 3'-O-(4-benzoylbenzoyl)adenosine 5'-(tetrahydrogen triphosphate) |
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 | | N60 | | Name: | 2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide | | Formula: | C22 H20 F5 N3 O3 | | SMILES: | CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[CH]1C(=O)Nc2ccccc2c3ccccc13 | | InChi: | InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1 | | Synonyms: | RO4929097 | | Definition date: | 2023-08-22 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | 2,2-dimethyl-~{N}-[(7~{S})-6-oxidanylidene-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-~{N}'-[2,2,3,3,3-pentakis(fluoranyl)propyl]propanediamide |
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 | | JNR | | Name: | (2~{R})-2-benzamido-5-carbamimidamido-pentanoic acid | | Formula: | C13 H18 N4 O3 | | SMILES: | NC(=N)NCCC[CH](NC(=O)c1ccccc1)C(O)=O | | InChi: | InChI=1S/C13H18N4O3/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,17,18)(H,19,20)(H4,14,15,16)/t10-/m1/s1 | | Definition date: | 2022-08-24 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | (2~{R})-2-benzamido-5-carbamimidamido-pentanoic acid |
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 | | FT9 | | Name: | (1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)hept-3-ynyl]phenyl]pent-2-enylidene]cyclohexane-1,3-diol | | Formula: | C26 H28 F6 O3 | | SMILES: | CCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCC#CCC(O)(C(F)(F)F)C(F)(F)F)c2 | | InChi: | InChI=1S/C26H28F6O3/c1-3-19(11-12-20-15-22(33)16-23(34)17(20)2)21-10-7-9-18(14-21)8-5-4-6-13-24(35,25(27,28)29)26(30,31)32/h7,9-12,14,22-23,33-35H,2-3,5,8,13,15-16H2,1H3/b19-11+,20-12-/t22-,23+/m1/s1 | | Definition date: | 2023-07-20 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)hept-3-ynyl]phenyl]pent-2-enylidene]cyclohexane-1,3-diol |
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 | | JCI | | Name: | (3~{R},5~{R})-3-[2-[[ethynyl(methyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol | | Formula: | C19 H18 N6 O4 S | | SMILES: | CN(Cc1scc(n1)[C]2(O)CN[CH](C2)c3onc(n3)c4ccccc4[N](=O)=O)C#C | | InChi: | InChI=1S/C19H18N6O4S/c1-3-24(2)9-16-21-15(10-30-16)19(26)8-13(20-11-19)18-22-17(23-29-18)12-6-4-5-7-14(12)25(27)28/h1,4-7,10,13,20,26H,8-9,11H2,2H3/t13-,19-/m1/s1 | | Definition date: | 2023-08-07 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | (3~{R},5~{R})-3-[2-[[ethynyl(methyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol |
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 | | UIY | | Name: | 1-[4-[2-[[5-(ethoxymethyl)-2-methyl-phenyl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one | | Formula: | C22 H24 N4 O3 | | SMILES: | CCOCc1ccc(C)c(Nc2oc(cn2)c3ccc(cc3)N4CCNC4=O)c1 | | InChi: | InChI=1S/C22H24N4O3/c1-3-28-14-16-5-4-15(2)19(12-16)25-21-24-13-20(29-21)17-6-8-18(9-7-17)26-11-10-23-22(26)27/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,23,27)(H,24,25) | | Definition date: | 2023-02-06 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | 1-[4-[2-[[5-(ethoxymethyl)-2-methyl-phenyl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one |
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 | | UOO | | Name: | (3R,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4,5-trihydroxypentyl [(2S,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) | | Formula: | C15 H24 Br N5 O14 P2 | | SMILES: | OC1C(COP(=O)(O)OP(=O)(O)OCCC(O)C(O)C(O)n2c3ncnc(N)c3nc2Br)OC(O)C1O | | InChi: | InChI=1S/C15H24BrN5O14P2/c16-15-20-7-11(17)18-4-19-12(7)21(15)13(26)8(23)5(22)1-2-32-36(28,29)35-37(30,31)33-3-6-9(24)10(25)14(27)34-6/h4-6,8-10,13-14,22-27H,1-3H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6+,8-,9-,10+,13-,14-/m1/s1 | | Definition date: | 2022-08-23 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | (3R,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4,5-trihydroxypentyl [(2S,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | UOZ | | Name: | [(2R,3S,5R)-5-(6-amino-8-phenyl-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) | | Formula: | C21 H27 N5 O13 P2 | | SMILES: | OC1C(COP(=O)(O)OP(=O)(O)OCC2OC(CC2O)n2c3ncnc(N)c3nc2c2ccccc2)OC(O)C1O | | InChi: | InChI=1S/C21H27N5O13P2/c22-18-15-20(24-9-23-18)26(19(25-15)10-4-2-1-3-5-10)14-6-11(27)12(37-14)7-35-40(31,32)39-41(33,34)36-8-13-16(28)17(29)21(30)38-13/h1-5,9,11-14,16-17,21,27-30H,6-8H2,(H,31,32)(H,33,34)(H2,22,23,24)/t11-,12+,13+,14+,16+,17-,21+/m0/s1 | | Definition date: | 2022-08-23 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | [(2R,3S,5R)-5-(6-amino-8-phenyl-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | JX6 | | Name: | N~2~-[(benzyloxy)carbonyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | | Formula: | C22 H33 N3 O5 | | SMILES: | CC(C)(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCNC1=O)CO | | InChi: | InChI=1S/C22H33N3O5/c1-22(2,3)12-18(25-21(29)30-14-15-7-5-4-6-8-15)20(28)24-17(13-26)11-16-9-10-23-19(16)27/h4-8,16-18,26H,9-14H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)/t16-,17+,18-/m0/s1 | | Definition date: | 2023-08-09 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | N~2~-[(benzyloxy)carbonyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide |
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 | | JY0 | | Name: | benzyl [(2S,3S)-3-tert-butoxy-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxobutan-2-yl]carbamate | | Formula: | C23 H35 N3 O6 | | SMILES: | CC(C)(C)OC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCNC1=O)CO | | InChi: | InChI=1S/C23H35N3O6/c1-15(32-23(2,3)4)19(26-22(30)31-14-16-8-6-5-7-9-16)21(29)25-18(13-27)12-17-10-11-24-20(17)28/h5-9,15,17-19,27H,10-14H2,1-4H3,(H,24,28)(H,25,29)(H,26,30)/t15-,17-,18-,19-/m0/s1 | | Definition date: | 2023-08-10 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | benzyl [(2S,3S)-3-tert-butoxy-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxobutan-2-yl]carbamate |
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 | | K2X | | Name: | (3-chlorophenyl)methyl [(2S)-3-cyclohexyl-1-({(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate | | Formula: | C24 H34 Cl N3 O5 S | | SMILES: | Clc1cccc(c1)COC(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)C(O)S | | InChi: | InChI=1S/C24H34ClN3O5S/c25-18-8-4-7-16(11-18)14-33-24(32)28-19(12-15-5-2-1-3-6-15)22(30)27-20(23(31)34)13-17-9-10-26-21(17)29/h4,7-8,11,15,17,19-20,23,31,34H,1-3,5-6,9-10,12-14H2,(H,26,29)(H,27,30)(H,28,32)/t17-,19-,20-,23-/m0/s1 | | Definition date: | 2023-08-10 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | (3-chlorophenyl)methyl [(2S)-3-cyclohexyl-1-({(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate |
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 | | VNZ | | Name: | Ivabradine | | Formula: | C27 H36 N2 O5 | | SMILES: | COc1cc2CCN(CCCN(C)C[CH]3Cc4cc(OC)c(OC)cc34)C(=O)Cc2cc1OC | | InChi: | InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3/t21-/m1/s1 | | Synonyms: | 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one | | Definition date: | 2023-03-20 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | 3-[3-[[(7~{S})-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1~{H}-3-benzazepin-4-one |
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 | | O6U | | Name: | (2S)-2-[[(2S)-6,8-bis(fluoranyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methyl-propan-2-yl]imidazol-4-yl]pentanamide | | Formula: | C27 H41 F2 N5 O | | SMILES: | CCC[CH](N[CH]1CCc2cc(F)cc(F)c2C1)C(=O)Nc3cn(cn3)C(C)(C)CNCC(C)(C)C | | InChi: | InChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1 | | Synonyms: | Nirogacestat | | Definition date: | 2023-08-23 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | (2~{S})-2-[[(2~{S})-6,8-bis(fluoranyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-~{N}-[1-[1-(2,2-dimethylpropylamino)-2-methyl-propan-2-yl]imidazol-4-yl]pentanamide |
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 | | XD8 | | Name: | (5~{S})-1'-[6-azanyl-5-(2-azanyl-3-chloranyl-pyridin-4-yl)sulfanyl-pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine | | Formula: | C21 H23 Cl N8 S | | SMILES: | N[CH]1c2cccnc2CC13CCN(CC3)c4cnc(Sc5ccnc(N)c5Cl)c(N)n4 | | InChi: | InChI=1S/C21H23ClN8S/c22-16-14(3-7-27-18(16)24)31-20-19(25)29-15(11-28-20)30-8-4-21(5-9-30)10-13-12(17(21)23)2-1-6-26-13/h1-3,6-7,11,17H,4-5,8-10,23H2,(H2,24,27)(H2,25,29)/t17-/m1/s1 | | Definition date: | 2023-11-02 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | (5~{S})-1'-[6-azanyl-5-(2-azanyl-3-chloranyl-pyridin-4-yl)sulfanyl-pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine |
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 | | QUJ | | Name: | 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid | | Formula: | C14 H16 N2 O3 | | SMILES: | CC(C)COc1cc(nc2c(N)cccc12)C(O)=O | | InChi: | InChI=1S/C14H16N2O3/c1-8(2)7-19-12-6-11(14(17)18)16-13-9(12)4-3-5-10(13)15/h3-6,8H,7,15H2,1-2H3,(H,17,18) | | Definition date: | 2016-05-24 | | Last modified: | 2024-08-06 | | Release date: | 2017-03-01 | | Identifier: | 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid |
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 | | QVE | | Name: | 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid | | Formula: | C12 H10 N2 O5 | | SMILES: | Nc1cccc2c(OCC(O)=O)cc(nc12)C(O)=O | | InChi: | InChI=1S/C12H10N2O5/c13-7-3-1-2-6-9(19-5-10(15)16)4-8(12(17)18)14-11(6)7/h1-4H,5,13H2,(H,15,16)(H,17,18) | | Definition date: | 2016-05-24 | | Last modified: | 2024-08-06 | | Release date: | 2017-03-01 | | Identifier: | 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid |
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 | | QVS | | Name: | 8-azanyl-4-oxidanyl-quinoline-2-carboxylic acid | | Formula: | C10 H8 N2 O3 | | SMILES: | Nc1cccc2c(O)cc(nc12)C(O)=O | | InChi: | InChI=1S/C10H8N2O3/c11-6-3-1-2-5-8(13)4-7(10(14)15)12-9(5)6/h1-4H,11H2,(H,12,13)(H,14,15) | | Definition date: | 2016-05-24 | | Last modified: | 2024-08-06 | | Release date: | 2017-03-01 | | Identifier: | 8-azanyl-4-oxidanyl-quinoline-2-carboxylic acid |
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 | | QDD | | Name: | 2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid | | Formula: | C12 H10 N2 O4 | | SMILES: | Nc1cccc2c(CC(O)=O)cc(nc12)C(O)=O | | InChi: | InChI=1S/C12H10N2O4/c13-8-3-1-2-7-6(5-10(15)16)4-9(12(17)18)14-11(7)8/h1-4H,5,13H2,(H,15,16)(H,17,18) | | Definition date: | 2018-10-24 | | Last modified: | 2024-08-06 | | Release date: | 2019-09-18 | | Identifier: | 8-azanyl-4-(2-hydroxy-2-oxoethyl)quinoline-2-carboxylic acid |
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 | | Y60 | | Name: | (2~{R})-2-(~{tert}-butylamino)-1-(3-chlorophenyl)propan-1-one | | Formula: | C13 H18 Cl N O | | SMILES: | C[CH](NC(C)(C)C)C(=O)c1cccc(Cl)c1 | | InChi: | InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3/t9-/m1/s1 | | Definition date: | 2023-11-21 | | Last modified: | 2024-08-02 | | Release date: | 2024-08-07 | | Identifier: | (2~{R})-2-(~{tert}-butylamino)-1-(3-chlorophenyl)propan-1-one |
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 | | Y73 | | Name: | N-[(2R,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide | | Formula: | C42 H81 N O3 | | SMILES: | O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCC/C=CCCCCCCCC | | InChi: | InChI=1S/C42H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,35,37,40-41,44-45H,3-16,19-34,36,38-39H2,1-2H3,(H,43,46)/b18-17?,37-35+/t40-,41-/m1/s1 | | Definition date: | 2023-06-12 | | Last modified: | 2024-08-02 | | Release date: | 2024-08-07 | | Identifier: | (15Z)-N-[(2R,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracos-15-enamide |
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 | | Y7K | | Name: | (2R,4R,4aS,5aR,6S,7S,8R,9S,9aR,10aS)-2-methyl-6,8-bis(methylamino)-4-({[2-(oxan-4-yl)ethyl]amino}methyl)octahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4a,7,9(10aH)-tetrol | | Formula: | C22 H41 N3 O8 | | SMILES: | CC1OC2OC3C(OC2(O)C(O)(CNCCC2CCOCC2)C1)C(NC)C(O)C(NC)C3O | | InChi: | InChI=1S/C22H41N3O8/c1-12-10-21(28,11-25-7-4-13-5-8-30-9-6-13)22(29)20(31-12)32-19-17(27)14(23-2)16(26)15(24-3)18(19)33-22/h12-20,23-29H,4-11H2,1-3H3/t12-,14-,15+,16+,17+,18-,19-,20+,21-,22-/m1/s1 | | Definition date: | 2023-11-26 | | Last modified: | 2024-08-02 | | Release date: | 2024-08-07 | | Identifier: | (2R,4R,4aS,5aR,6S,7S,8R,9S,9aR,10aS)-2-methyl-6,8-bis(methylamino)-4-({[2-(oxan-4-yl)ethyl]amino}methyl)octahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4a,7,9(10aH)-tetrol |
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