 | | 30F | | Name: | (2Z)-2-amino-3-selanylprop-2-enoic acid | | Formula: | C3 H5 N O2 Se | | SMILES: | O=C(O)/C(N)=C/[SeH] | | InChi: | InChI=1S/C3H5NO2Se/c4-2(1-7)3(5)6/h1,7H,4H2,(H,5,6)/b2-1- | | Definition date: | 2014-05-06 | | Last modified: | 2024-04-24 | | Release date: | 2015-03-04 | | Identifier: | (2Z)-2-amino-3-selanylprop-2-enoic acid |
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 | | 9E7 | | Name: | N~6~-(sulfanylmethyl)-L-lysine | | Formula: | C7 H16 N2 O2 S | | SMILES: | C(O)(C(N)CCCCNCS)=O | | InChi: | InChI=1S/C7H16N2O2S/c8-6(7(10)11)3-1-2-4-9-5-12/h6,9,12H,1-5,8H2,(H,10,11)/t6-/m0/s1 | | Definition date: | 2017-04-24 | | Last modified: | 2024-04-24 | | Release date: | 2018-04-25 | | Identifier: | N~6~-(sulfanylmethyl)-L-lysine |
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 | | TYE | | Name: | 4-[(2S)-2-amino-3-hydroxypropyl]phenol | | Formula: | C9 H13 N O2 | | SMILES: | Oc1ccc(cc1)CC(N)CO | | InChi: | InChI=1S/C9H13NO2/c10-8(6-11)5-7-1-3-9(12)4-2-7/h1-4,8,11-12H,5-6,10H2/t8-/m0/s1 | | Synonyms: | tyrosinol | | Definition date: | 2010-10-11 | | Last modified: | 2024-04-24 | | Identifier: | 4-[(2S)-2-amino-3-hydroxypropyl]phenol |
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 | | CHM | | Name: | 1,3-DICHLORO-PROPAN-2-ONE | | Formula: | C3 H4 Cl2 O | | SMILES: | ClCC(=O)CCl | | InChi: | InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2 | | Synonyms: | Bis(chloromethyl) ketone | | Definition date: | 2002-11-15 | | Last modified: | 2024-04-24 | | Identifier: | 1,3-dichloropropan-2-one |
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 | | DBB | | Name: | D-ALPHA-AMINOBUTYRIC ACID | | Formula: | C4 H9 N O2 | | SMILES: | O=C(O)C(N)CC | | InChi: | InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 | | Definition date: | 2008-10-17 | | Last modified: | 2024-04-24 | | Identifier: | (2R)-2-aminobutanoic acid |
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 | | YV6 | | Name: | methyl (3S)-1-[N-(4-sulfanylbutanoyl)-L-valyl-3-hydroxy-L-phenylalanyl]-1,2-diazinane-3-carboxylate | | Formula: | C24 H36 N4 O6 S | | SMILES: | O=C(N1CCCC(N1)C(=O)OC)C(Cc1cccc(O)c1)NC(=O)C(NC(=O)CCCS)C(C)C | | InChi: | InChI=1S/C24H36N4O6S/c1-15(2)21(26-20(30)10-6-12-35)22(31)25-19(14-16-7-4-8-17(29)13-16)23(32)28-11-5-9-18(27-28)24(33)34-3/h4,7-8,13,15,18-19,21,27,29,35H,5-6,9-12,14H2,1-3H3,(H,25,31)(H,26,30)/t18-,19-,21-/m0/s1 | | Definition date: | 2023-02-22 | | Last modified: | 2024-04-19 | | Release date: | 2023-08-16 | | Identifier: | methyl (3S)-1-[N-(4-sulfanylbutanoyl)-L-valyl-3-hydroxy-L-phenylalanyl]-1,2-diazinane-3-carboxylate |
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 | | ZJU | | Name: | N-SUCCINYL-ASPARTIC ACID | | Formula: | C8 H11 N O7 | | SMILES: | OC(=O)CCC(=O)N[CH](CC(O)=O)C(O)=O | | InChi: | InChI=1S/C8H11NO7/c10-5(1-2-6(11)12)9-4(8(15)16)3-7(13)14/h4H,1-3H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)/t4-/m0/s1 | | Synonyms: | 2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]butanedioic acid | | Definition date: | 2024-01-22 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]butanedioic acid |
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 | | YH8 | | Name: | 2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-7-oxidanylidene-6-[4-(3-oxidanylpyridin-2-yl)carbonylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-~{N}-[2-methyl-4-(trifluoromethyl)phenyl]ethanamide | | Formula: | C32 H33 F3 N8 O5 | | SMILES: | CCC1=C(N2CCN(CC2)C(=O)c3ncccc3O)C(=O)n4nc(nc4N1CC(=O)Nc5ccc(cc5C)C(F)(F)F)C6=CCOCC6 | | InChi: | InChI=1S/C32H33F3N8O5/c1-3-23-27(40-11-13-41(14-12-40)29(46)26-24(44)5-4-10-36-26)30(47)43-31(38-28(39-43)20-8-15-48-16-9-20)42(23)18-25(45)37-22-7-6-21(17-19(22)2)32(33,34)35/h4-8,10,17,44H,3,9,11-16,18H2,1-2H3,(H,37,45) | | Definition date: | 2023-06-16 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-7-oxidanylidene-6-[4-(3-oxidanylpyridin-2-yl)carbonylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-~{N}-[2-methyl-4-(trifluoromethyl)phenyl]ethanamide |
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 | | YHC | | Name: | ~{N}-[2-chloranyl-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-6-[4-(6-methyl-5-oxidanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]-7-oxidanylidene-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanamide | | Formula: | C31 H31 Cl F3 N9 O5 | | SMILES: | CCC1=C(N2CCN(CC2)C(=O)c3ncnc(C)c3O)C(=O)n4nc(nc4N1CC(=O)Nc5ccc(cc5Cl)C(F)(F)F)C6=CCOCC6 | | InChi: | InChI=1S/C31H31ClF3N9O5/c1-3-22-25(41-8-10-42(11-9-41)28(47)24-26(46)17(2)36-16-37-24)29(48)44-30(39-27(40-44)18-6-12-49-13-7-18)43(22)15-23(45)38-21-5-4-19(14-20(21)32)31(33,34)35/h4-6,14,16,46H,3,7-13,15H2,1-2H3,(H,38,45) | | Definition date: | 2023-06-16 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | ~{N}-[2-chloranyl-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-6-[4-(6-methyl-5-oxidanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]-7-oxidanylidene-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanamide |
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 | | ZLF | | Name: | S-(1-FLUORO-3,5-DIMETHYLBENZENE)-CYSTEINE | | Formula: | C11 H14 F N O2 S | | SMILES: | Cc1cc(F)cc(CSC[CH](N)C(O)=O)c1 | | InChi: | InChI=1S/C11H14FNO2S/c1-7-2-8(4-9(12)3-7)5-16-6-10(13)11(14)15/h2-4,10H,5-6,13H2,1H3,(H,14,15)/t10-/m0/s1 | | Synonyms: | 2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid | | Definition date: | 2024-01-22 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid |
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 | | Z50 | | Name: | 3-{[(3-{[(2-aminoethyl)sulfanyl]methyl}-5-(4-methyl-1H-1,2,3-triazol-1-yl)phenyl)methyl]sulfanyl}propanoic acid | | Formula: | C16 H22 N4 O2 S2 | | SMILES: | Cc1cn(nn1)c2cc(CSCCN)cc(CSCCC(O)=O)c2 | | InChi: | InChI=1S/C16H22N4O2S2/c1-12-9-20(19-18-12)15-7-13(10-23-4-2-16(21)22)6-14(8-15)11-24-5-3-17/h6-9H,2-5,10-11,17H2,1H3,(H,21,22) | | Synonyms: | 3-[[3-(2-azanylethylsulfanylmethyl)-5-(4-methyl-1,2,3-triazol-1-yl)phenyl]methylsulfanyl]propanoic acid | | Definition date: | 2024-01-22 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 3-[[3-(2-azanylethylsulfanylmethyl)-5-(4-methyl-1,2,3-triazol-1-yl)phenyl]methylsulfanyl]propanoic acid |
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 | | ZQF | | Name: | 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid | | Formula: | C38 H42 N4 O10 S2 | | SMILES: | O=S(=O)(Nc1ccc(NC(=O)CCNC(=O)c2ccc(NS(=O)(=O)c3ccc(CCCC)cc3)c(c2)C(=O)O)cc1C(=O)O)c1ccc(CCCC)cc1 | | InChi: | InChI=1S/C38H42N4O10S2/c1-3-5-7-25-9-15-29(16-10-25)53(49,50)41-33-19-13-27(23-31(33)37(45)46)36(44)39-22-21-35(43)40-28-14-20-34(32(24-28)38(47)48)42-54(51,52)30-17-11-26(12-18-30)8-6-4-2/h9-20,23-24,41-42H,3-8,21-22H2,1-2H3,(H,39,44)(H,40,43)(H,45,46)(H,47,48) | | Definition date: | 2023-03-20 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid |
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 | | Z9J | | Name: | 3-{[(3-{[(2-aminoethyl)sulfanyl]methyl}phenyl)methyl]sulfanyl}propanoic acid | | Formula: | C13 H19 N O2 S2 | | SMILES: | NCCSCc1cccc(CSCCC(O)=O)c1 | | InChi: | InChI=1S/C13H19NO2S2/c14-5-7-18-10-12-3-1-2-11(8-12)9-17-6-4-13(15)16/h1-3,8H,4-7,9-10,14H2,(H,15,16) | | Synonyms: | 3-[[3-(2-azanylethylsulfanylmethyl)phenyl]methylsulfanyl]propanoic acid | | Definition date: | 2024-01-22 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 3-[[3-(2-azanylethylsulfanylmethyl)phenyl]methylsulfanyl]propanoic acid |
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 | | XS0 | | Name: | namodenoson | | Formula: | C18 H18 Cl I N6 O4 | | SMILES: | CNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc23 | | InChi: | InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 | | Synonyms: | (2~{S},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide | | Definition date: | 2023-11-09 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | (2~{S},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide |
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 | | YRV | | Name: | S-[(3-methylphenyl)methyl]-L-cysteine | | Formula: | C11 H15 N O2 S | | SMILES: | O=C(O)C(N)CSCc1cccc(C)c1 | | InChi: | InChI=1S/C11H15NO2S/c1-8-3-2-4-9(5-8)6-15-7-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m0/s1 | | Definition date: | 2021-03-29 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | S-[(3-methylphenyl)methyl]-L-cysteine |
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 | | JR0 | | Name: | N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide | | Formula: | C34 H39 N7 O5 | | SMILES: | O=C(C1CCN(CC1)c1nc(C)cc(n1)C(=O)NCc1ccccc1)N1CCN(CC1)C(=O)c1cc2c(OC)c(OC)ccc2[NH]1 | | InChi: | InChI=1S/C34H39N7O5/c1-22-19-27(31(42)35-21-23-7-5-4-6-8-23)38-34(36-22)41-13-11-24(12-14-41)32(43)39-15-17-40(18-16-39)33(44)28-20-25-26(37-28)9-10-29(45-2)30(25)46-3/h4-10,19-20,24,37H,11-18,21H2,1-3H3,(H,35,42) | | Definition date: | 2023-08-08 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide |
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 | | JS9 | | Name: | 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide | | Formula: | C31 H35 N5 O4 | | SMILES: | COCC1(CC1)CN(C)C(=O)c1ccc(cc1)CCn1cc(nn1)c1ccc(nc1)c1cc(OC)ccc1OC | | InChi: | InChI=1S/C31H35N5O4/c1-35(20-31(14-15-31)21-38-2)30(37)23-7-5-22(6-8-23)13-16-36-19-28(33-34-36)24-9-11-27(32-18-24)26-17-25(39-3)10-12-29(26)40-4/h5-12,17-19H,13-16,20-21H2,1-4H3 | | Definition date: | 2023-08-09 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide |
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 | | A1AAR | | Name: | N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide | | Formula: | C20 H24 N4 O3 | | SMILES: | CC1CCC(c2ccc(O)cc2)N(C1)C(=O)C(=O)Nc1cc(C)c(N)nc1 | | InChi: | InChI=1S/C20H24N4O3/c1-12-3-8-17(14-4-6-16(25)7-5-14)24(11-12)20(27)19(26)23-15-9-13(2)18(21)22-10-15/h4-7,9-10,12,17,25H,3,8,11H2,1-2H3,(H2,21,22)(H,23,26)/t12-,17+/m0/s1 | | Definition date: | 2023-12-30 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide |
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 | | A1AAU | | Name: | 5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide | | Formula: | C20 H22 N4 O3 | | SMILES: | CC1CCC(c2ccccc2)N(C1)C(=O)C(=O)Nc1cc(cnc1)C(N)=O | | InChi: | InChI=1S/C20H22N4O3/c1-13-7-8-17(14-5-3-2-4-6-14)24(12-13)20(27)19(26)23-16-9-15(18(21)25)10-22-11-16/h2-6,9-11,13,17H,7-8,12H2,1H3,(H2,21,25)(H,23,26)/t13-,17+/m0/s1 | | Definition date: | 2023-12-31 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide |
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 | | A1AAV | | Name: | N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide | | Formula: | C21 H23 N5 O2 S | | SMILES: | Cc1cc(cnc1N)NC(=O)C(=O)N1CC(C)CCC1c1cc2ncsc2cc1 | | InChi: | InChI=1S/C21H23N5O2S/c1-12-3-5-17(14-4-6-18-16(8-14)24-11-29-18)26(10-12)21(28)20(27)25-15-7-13(2)19(22)23-9-15/h4,6-9,11-12,17H,3,5,10H2,1-2H3,(H2,22,23)(H,25,27)/t12-,17+/m0/s1 | | Synonyms: | TNG908 | | Definition date: | 2023-12-31 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide |
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 | | A1AAX | | Name: | 3,3',3''-({(4R)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1,4-dihydropyridin-4-yl}-lambda~5~-phosphanetriyl)tripropanoic acid | | Formula: | C30 H45 N7 O23 P4 | | SMILES: | O=C(O)CCP(CCC(=O)O)(CCC(=O)O)C1C=CN(C=C1C(N)=O)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(OP(=O)(O)O)C2O)C(O)C1O | | InChi: | InChI=1S/C30H45N7O23P4/c31-26-21-28(34-12-33-26)37(13-35-21)30-25(59-62(48,49)50)23(45)16(58-30)11-56-64(53,54)60-63(51,52)55-10-15-22(44)24(46)29(57-15)36-5-1-17(14(9-36)27(32)47)61(6-2-18(38)39,7-3-19(40)41)8-4-20(42)43/h1,5,9,12-13,15-17,22-25,29-30,44-46,61H,2-4,6-8,10-11H2,(H2,32,47)(H,38,39)(H,40,41)(H,42,43)(H,51,52)(H,53,54)(H2,31,33,34)(H2,48,49,50)/t15-,16-,17-,22-,23-,24-,25-,29-,30-/m1/s1 | | Definition date: | 2024-01-02 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 3,3',3''-({(4R)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1,4-dihydropyridin-4-yl}-lambda~5~-phosphanetriyl)tripropanoic acid (non-preferred name) |
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 | | A1AC8 | | Name: | (3R)-1-benzylpiperidin-3-yl methyl (2R,3R,4R,5R,6S)-2,6-dimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylate | | Formula: | C28 H32 N3 O6 | | SMILES: | O=[N+](O)c1cccc(c1)C1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC1CCCN(Cc2ccccc2)C1 | | InChi: | InChI=1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26H,8,13-14,16-17H2,1-3H3,(H-,29,32,33,34,35)/p+1/t23-,26-/m1/s1 | | Definition date: | 2024-01-18 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | {3-[(4R)-3-({[(3R)-1-benzylpiperidin-3-yl]oxy}carbonyl)-5-(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl}(hydroxy)oxoammonium |
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 | | A1AC9 | | Name: | 6,6',7,12-tetramethoxy-2,2'-dimethyl-1beta-3,4-didehydroberbaman | | Formula: | C38 H40 N2 O6 | | SMILES: | COc1c(OC)cc2C=CN(C)C3Cc4ccc(OC)c(c4)Oc4ccc(cc4)CC4c5cc(Oc1c32)c(OC)cc5CCN4C | | InChi: | InChI=1S/C38H40N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,14,16,19-22,29-30H,13,15,17-18H2,1-6H3/t29-,30?/m0/s1 | | Definition date: | 2024-01-18 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 6,6',7,12-tetramethoxy-2,2'-dimethyl-1beta-3,4-didehydroberbaman |
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 | | A1AHF | | Name: | N-[(2S)-3-oxo-1-(beta-L-talopyranosyloxy)octadecan-2-yl]docosanamide | | Formula: | C46 H89 N O8 | | SMILES: | CCCCCCCCCCCCCCCC(=O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C46H89NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-42(50)47-39(38-54-46-45(53)44(52)43(51)41(37-48)55-46)40(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h39,41,43-46,48,51-53H,3-38H2,1-2H3,(H,47,50)/t39-,41-,43+,44+,45+,46-/m0/s1 | | Definition date: | 2024-03-07 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | N-[(2S)-3-oxo-1-(beta-L-talopyranosyloxy)octadecan-2-yl]docosanamide |
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 | | A1AHJ | | Name: | 3,5-dichloro-N-{[(1R,5S,6r)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl}benzamide | | Formula: | C19 H26 Cl2 N2 O | | SMILES: | Clc1cc(cc(Cl)c1)C(=O)NCC1C2CN(CCC(C)(C)C)CC21 | | InChi: | InChI=1S/C19H26Cl2N2O/c1-19(2,3)4-5-23-10-16-15(17(16)11-23)9-22-18(24)12-6-13(20)8-14(21)7-12/h6-8,15-17H,4-5,9-11H2,1-3H3,(H,22,24)/t15-,16-,17+ | | Definition date: | 2024-03-08 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 3,5-dichloro-N-{[(1R,5S,6r)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl}benzamide |
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