 | | A1IDU | | Name: | 6-[(6-azanyl-4-oxidanyl-naphthalen-2-yl)sulfonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid | | Formula: | C20 H16 N2 O7 S2 | | SMILES: | Nc1ccc2cc(cc(O)c2c1)[S](=O)(=O)Nc3ccc4cc(cc(O)c4c3)[S](O)(=O)=O | | InChi: | InChI=1S/C20H16N2O7S2/c21-13-3-1-11-5-15(9-19(23)17(11)7-13)30(25,26)22-14-4-2-12-6-16(31(27,28)29)10-20(24)18(12)8-14/h1-10,22-24H,21H2,(H,27,28,29) | | Definition date: | 2024-06-06 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | 6-[(6-azanyl-4-oxidanyl-naphthalen-2-yl)sulfonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid |
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 | | A1IH3 | | Name: | 5-iodanyl-2-methylsulfonyl-pyrimidine | | Formula: | C5 H5 I N2 O2 S | | SMILES: | C[S](=O)(=O)c1ncc(I)cn1 | | InChi: | InChI=1S/C5H5IN2O2S/c1-11(9,10)5-7-2-4(6)3-8-5/h2-3H,1H3 | | Definition date: | 2024-07-11 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | 5-iodanyl-2-methylsulfonyl-pyrimidine |
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 | | A1LXN | | Name: | 2-azanyl-8-methyl-1,9-dihydropurin-6-one | | Formula: | C6 H7 N5 O | | SMILES: | Cc1[nH]c2N=C(N)NC(=O)c2n1 | | InChi: | InChI=1S/C6H7N5O/c1-2-8-3-4(9-2)10-6(7)11-5(3)12/h1H3,(H4,7,8,9,10,11,12) | | Definition date: | 2024-02-03 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | 2-azanyl-8-methyl-1,9-dihydropurin-6-one |
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 | | A1LXX | | Name: | 4-[dodecyl(dimethyl)-$l^{4}-azanyl]butanoic acid | | Formula: | C18 H38 N O2 | | SMILES: | CCCCCCCCCCCC[N+](C)(C)CCCC(O)=O | | InChi: | InChI=1S/C18H37NO2/c1-4-5-6-7-8-9-10-11-12-13-16-19(2,3)17-14-15-18(20)21/h4-17H2,1-3H3/p+1 | | Definition date: | 2024-02-06 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | dodecyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium |
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 | | I7G | | Name: | ~{S}-(2-acetamidoethyl) (~{E})-oct-2-enethioate | | Formula: | C12 H21 N O2 S | | SMILES: | CCCCCC=CC(=O)SCCNC(C)=O | | InChi: | InChI=1S/C12H21NO2S/c1-3-4-5-6-7-8-12(15)16-10-9-13-11(2)14/h7-8H,3-6,9-10H2,1-2H3,(H,13,14)/b8-7+ | | Synonyms: | S-2-acetamidoethyl (e)-oct-2-enethioate | | Definition date: | 2023-07-26 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | ~{S}-(2-acetamidoethyl) (~{E})-oct-2-enethioate |
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 | | IR0 | | Name: | P8W48O184 polyoxometalate | | Formula: | O184 P8 W48 | | SMILES: | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[P]23O[W]45O[W]67O[P]89O[W]%10%11O[W]1%12O[W]%13%14O[W]%15(O%12)O[W]%16%17O[W]%18%19O[P]%20%21O[W]%22%23O[W]%24%25O[P]%26%27O[W]%28(O%18)O[W]%29%30O[W](O%19)(O%16)O[W]%31(O%20)(O%22)O[W](O%21)(O%17)(O%23)O[W](O2)(O%15)(O4)O[W](O3)(O%13)(O5)O[W]%32(O8)(O[W](O%10)(O%14)O[W]%33(O%11)O[W]%34%35O[W]%36%37O[P]%38%39O[W]%40%41O[W]%42%43O[P]%44%45O[W]%46(O%36)O[W]%47%48O[W](O%37)(O%34)O[W](O%38)(O%40)(O[W](O%39)(O%35)(O%41)O[W](O9)(O%33)(O6)O%32)O[W](O%44)(O%47)(O%42)O[W]%49(O%45)(O[W](O%46)(O%48)O[W]%50%51O[W]%52%53O[P]%54%55O[W]%56%57O[W]%58%59O[P]%60%61O[W]%62(O%52)O[W]%63%64O[W](O%28)(O%29)O[W](O%26)(O%24)(O[W](O%27)(O%30)(O%25)O%31)O[W](O%60)(O%63)(O%58)O[W]%65(O%61)(O[W](O%62)(O%64)O[W](O%53)(O%50)O[W](O%54)(O%56)(O%65)O[W](O%55)(O%51)(O%57)O%49)O%59)O%43)O7 | | InChi: | InChI=1S/8HO4P.64H2O.88O.48W/c8*1-5(2,3)4 | | Definition date: | 2023-08-03 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 |
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 | | OJK | | Name: | 2-(aminomethyl)-5-chloranyl-benzene-1,4-diol | | Formula: | C7 H8 Cl N O2 | | SMILES: | NCc1cc(O)c(Cl)cc1O | | InChi: | InChI=1S/C7H8ClNO2/c8-5-2-6(10)4(3-9)1-7(5)11/h1-2,10-11H,3,9H2 | | Definition date: | 2021-03-22 | | Last modified: | 2024-07-17 | | Release date: | 2021-03-31 | | Identifier: | 2-(aminomethyl)-5-chloranyl-benzene-1,4-diol |
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 | | 9RI | | Name: | N~6~-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N~6~-methyl-L-lysine | | Formula: | C14 H26 N2 O2 | | SMILES: | CN(CCCCC(N)C(=O)O)C1CC2CCC1C2 | | InChi: | InChI=1S/C14H26N2O2/c1-16(7-3-2-4-12(15)14(17)18)13-9-10-5-6-11(13)8-10/h10-13H,2-9,15H2,1H3,(H,17,18)/t10-,11+,12-,13-/m0/s1 | | Definition date: | 2021-10-26 | | Last modified: | 2024-07-16 | | Release date: | 2021-11-17 | | Identifier: | N~6~-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N~6~-methyl-L-lysine |
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 | | GFX | | Name: | methyl 4-fluoro-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate, radical | | Formula: | C10 H16 F N O3 | | SMILES: | FC1=C(C(=O)OC)C(C)(C)N(O)C1(C)C | | InChi: | InChI=1S/C10H16FNO3/c1-9(2)6(8(13)15-5)7(11)10(3,4)12(9)14/h14H,1-5H3 | | Definition date: | 2023-07-20 | | Last modified: | 2024-07-15 | | Release date: | 2024-06-05 | | Identifier: | methyl 4-fluoro-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate |
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 | | ZQT | | Name: | 9H-xanthene-1,3,6,8-tetrol | | Formula: | C13 H10 O5 | | SMILES: | Oc1cc(O)cc2Oc3cc(O)cc(O)c3Cc21 | | InChi: | InChI=1S/C13H10O5/c14-6-1-10(16)8-5-9-11(17)2-7(15)4-13(9)18-12(8)3-6/h1-4,14-17H,5H2 | | Definition date: | 2023-07-03 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | 9H-xanthene-1,3,6,8-tetrol |
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 | | WUO | | Name: | acyl-phosphatidyl-myo-inositol dimannoside (AcPIM2) | | Formula: | C72 H135 O24 P | | SMILES: | CCCCCCCCCCCCCCCC(=O)OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]2O[P](O)(=O)OC[CH](COC(=O)CCCCCCCC[CH](C)CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C72H135O24P/c1-5-8-11-14-17-19-21-23-25-27-29-35-41-46-57(75)89-51-55-60(78)62(80)67(85)72(93-55)95-69-65(83)63(81)64(82)68(94-71-66(84)61(79)59(77)54(48-73)92-71)70(69)96-97(86,87)90-50-53(91-58(76)47-42-37-30-28-26-24-22-20-18-15-12-9-6-2)49-88-56(74)45-40-36-32-31-34-39-44-52(4)43-38-33-16-13-10-7-3/h52-55,59-73,77-85H,5-51H2,1-4H3,(H,86,87)/t52-,53-,54-,55-,59-,60-,61+,62+,63+,64+,65-,66+,67+,68-,69-,70+,71-,72-/m1/s1 | | Synonyms: | [(2R)-2-[(10E,13E)-hexadeca-10,13-dienoyl]oxy-3-[[(1S,2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5S,6R)-6-(hexadecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-propyl] (10R)-10-methyloctadecanoate | | Definition date: | 2023-05-18 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | [(2~{R})-2-hexadecanoyloxy-3-[[(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hexadecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-propyl] (10~{R})-10-methyloctadecanoate |
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 | | VIM | | Name: | 2-chloranyl-6-(4-fluoranylphenoxy)benzoic acid | | Formula: | C13 H8 Cl F O3 | | SMILES: | OC(=O)c1c(Cl)cccc1Oc2ccc(F)cc2 | | InChi: | InChI=1S/C13H8ClFO3/c14-10-2-1-3-11(12(10)13(16)17)18-9-6-4-8(15)5-7-9/h1-7H,(H,16,17) | | Definition date: | 2023-07-25 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | 2-chloranyl-6-(4-fluoranylphenoxy)benzoic acid |
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 | | XTE | | Name: | E-CFCP-triphosphate | | Formula: | C13 H16 F N6 O12 P3 | | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[C](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)(C#N)C3=CF | | InChi: | InChI=1S/C13H16FN6O12P3/c14-2-6-7(20-5-17-9-10(20)18-12(16)19-11(9)22)1-8(21)13(6,3-15)4-30-34(26,27)32-35(28,29)31-33(23,24)25/h2,5,7-8,21H,1,4H2,(H,26,27)(H,28,29)(H2,23,24,25)(H3,16,18,19,22)/b6-2-/t7-,8-,13-/m0/s1 | | Synonyms: | [[(1~{S},2~{E},3~{S},5~{S})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-1-cyano-2-(fluoranylmethylidene)-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Definition date: | 2023-11-10 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | [[(1~{S},2~{E},3~{S},5~{S})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-1-cyano-2-(fluoranylmethylidene)-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | U1O | | Name: | N-(9-oxidanylidenethioxanthen-2-yl)ethanamide | | Formula: | C15 H11 N O2 S | | SMILES: | CC(=O)Nc1ccc2Sc3ccccc3C(=O)c2c1 | | InChi: | InChI=1S/C15H11NO2S/c1-9(17)16-10-6-7-14-12(8-10)15(18)11-4-2-3-5-13(11)19-14/h2-8H,1H3,(H,16,17) | | Definition date: | 2023-05-11 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | ~{N}-(9-oxidanylidenethioxanthen-2-yl)ethanamide |
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 | | ZKR | | Name: | [5-(trifluoromethyl)thiophen-2-yl]boronic acid | | Formula: | C5 H4 B F3 O2 S | | SMILES: | FC(F)(F)c1ccc(s1)B(O)O | | InChi: | InChI=1S/C5H4BF3O2S/c7-5(8,9)3-1-2-4(12-3)6(10)11/h1-2,10-11H | | Definition date: | 2023-06-28 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | [5-(trifluoromethyl)thiophen-2-yl]boronic acid |
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 | | VRW | | Name: | (2~{S})-2-azanyl-3-[4-[(5-azanyl-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-bis(chloranyl)phenyl]propanoic acid | | Formula: | C23 H19 Cl2 N3 O4 | | SMILES: | N[CH](Cc1cc(Cl)c(OCc2cc(N)cc3nc(oc23)c4ccccc4)c(Cl)c1)C(O)=O | | InChi: | InChI=1S/C23H19Cl2N3O4/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13/h1-7,9-10,18H,8,11,26-27H2,(H,29,30)/t18-/m0/s1 | | Synonyms: | JPH203 | | Definition date: | 2023-08-10 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | (2~{S})-2-azanyl-3-[4-[(5-azanyl-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-bis(chloranyl)phenyl]propanoic acid |
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 | | A1APU | | Name: | Nalpha-[({(1M)-1-[5-(benzyloxy)pyridin-3-yl]naphthalen-2-yl}sulfanyl)acetyl]-3-methoxy-N,4-dimethyl-L-phenylalaninamide | | Formula: | C36 H35 N3 O4 S | | SMILES: | CNC(=O)C(Cc1ccc(C)c(OC)c1)NC(=O)CSc1ccc2ccccc2c1c1cncc(OCc2ccccc2)c1 | | InChi: | InChI=1S/C36H35N3O4S/c1-24-13-14-26(18-32(24)42-3)17-31(36(41)37-2)39-34(40)23-44-33-16-15-27-11-7-8-12-30(27)35(33)28-19-29(21-38-20-28)43-22-25-9-5-4-6-10-25/h4-16,18-21,31H,17,22-23H2,1-3H3,(H,37,41)(H,39,40)/t31-/m0/s1 | | Definition date: | 2024-04-26 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | Nalpha-[({(1M)-1-[5-(benzyloxy)pyridin-3-yl]naphthalen-2-yl}sulfanyl)acetyl]-3-methoxy-N,4-dimethyl-L-phenylalaninamide |
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 | | A1APV | | Name: | Naloxone | | Formula: | C19 H21 N O4 | | SMILES: | O=C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC=C)c54 | | InChi: | InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | | Synonyms: | 3,14-dihydroxy-17-(prop-2-en-1-yl)-5alpha-4,5-epoxymorphinan-6-one | | Definition date: | 2024-04-26 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | 3,14-dihydroxy-17-(prop-2-en-1-yl)-5alpha-4,5-epoxymorphinan-6-one |
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 | | A1AWT | | Name: | 2-methoxy-N-(6-{4-[(2S)-1,1,1-trifluoropropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)pyridine-3-carboxamide | | Formula: | C17 H15 F3 N6 O2 | | SMILES: | FC(F)(F)C(C)n1cnnc1c1cccc(NC(=O)c2cccnc2OC)n1 | | InChi: | InChI=1S/C17H15F3N6O2/c1-10(17(18,19)20)26-9-22-25-14(26)12-6-3-7-13(23-12)24-15(27)11-5-4-8-21-16(11)28-2/h3-10H,1-2H3,(H,23,24,27)/t10-/m0/s1 | | Definition date: | 2024-07-06 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | 2-methoxy-N-(6-{4-[(2S)-1,1,1-trifluoropropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)pyridine-3-carboxamide |
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 | | A1H1V | | Name: | 3-O-sulfo-alpha-L-idopyranuronic acid | | Formula: | C6 H10 O10 S | | SMILES: | O[CH]1O[CH]([CH](O)[CH](O[S](O)(=O)=O)[CH]1O)C(O)=O | | InChi: | InChI=1S/C6H10O10S/c7-1-3(16-17(12,13)14)2(8)6(11)15-4(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2+,3-,4+,6+/m0/s1 | | Synonyms: | O3-SULFO-GLUCURONIC ACID | | Definition date: | 2024-01-09 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{R})-3,5,6-tris(oxidanyl)-4-sulfooxy-oxane-2-carboxylic acid |
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 | | A1AAG | | Name: | (2S)-2-{[(S)-[(3S)-3-acetamido-4-(ethylamino)-4-oxobutyl](hydroxy)phosphoryl]methyl}pentanedioic acid | | Formula: | C14 H25 N2 O8 P | | SMILES: | OC(=O)CCC(CP(=O)(O)CCC(NC(C)=O)C(=O)NCC)C(=O)O | | InChi: | InChI=1S/C14H25N2O8P/c1-3-15-13(20)11(16-9(2)17)6-7-25(23,24)8-10(14(21)22)4-5-12(18)19/h10-11H,3-8H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)(H,21,22)(H,23,24)/t10-,11+/m1/s1 | | Definition date: | 2023-12-14 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | (2S)-2-{[(S)-[(3S)-3-acetamido-4-(ethylamino)-4-oxobutyl](hydroxy)phosphoryl]methyl}pentanedioic acid |
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 | | A1AE2 | | Name: | (2S)-1-[(3-{1-[4-(4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butyl]-1H-1,2,3-triazol-4-yl}propyl)amino]-3-(2-propylphenoxy)propan-2-ol | | Formula: | C33 H51 N5 O4 | | SMILES: | CC(C)NCC(O)COc1ccc(CCCCn2cc(nn2)CCCNCC(O)COc2ccccc2CCC)cc1 | | InChi: | InChI=1S/C33H51N5O4/c1-4-10-28-12-5-6-14-33(28)42-25-30(39)21-34-19-9-13-29-23-38(37-36-29)20-8-7-11-27-15-17-32(18-16-27)41-24-31(40)22-35-26(2)3/h5-6,12,14-18,23,26,30-31,34-35,39-40H,4,7-11,13,19-22,24-25H2,1-3H3 | | Definition date: | 2024-02-19 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | (2S)-1-[(3-{1-[4-(4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butyl]-1H-1,2,3-triazol-4-yl}propyl)amino]-3-(2-propylphenoxy)propan-2-ol |
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 | | A1IDX | | Name: | (2~{S})-2-[[(2~{S})-3-[3-[(3-chloranyl-5-fluoranyl-phenyl)methyl]imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid | | Formula: | C19 H23 Cl F N3 O4 | | SMILES: | CC(C)C[CH](N[CH](Cc1cncn1Cc2cc(F)cc(Cl)c2)C(O)=O)C(O)=O | | InChi: | InChI=1S/C19H23ClFN3O4/c1-11(2)3-16(18(25)26)23-17(19(27)28)7-15-8-22-10-24(15)9-12-4-13(20)6-14(21)5-12/h4-6,8,10-11,16-17,23H,3,7,9H2,1-2H3,(H,25,26)(H,27,28)/t16-,17-/m0/s1 | | Definition date: | 2024-06-06 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | (2~{S})-2-[[(2~{S})-3-[3-[(3-chloranyl-5-fluoranyl-phenyl)methyl]imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid |
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 | | A1IF8 | | Name: | azanylidene-[2-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-1-oxidanylidene-hexan-2-yl]carbamoyl]-4,4-bis(fluoranyl)pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]imino-azanium | | Formula: | C32 H53 F2 N8 O8 | | SMILES: | CCCC[CH](NC(=O)[CH]1CC(F)(F)CN1C(=O)[CH](C)NC(=O)CN=[N+]=N)C(=O)N[CH](CC2CCCCC2)[C]3(O)O[CH](C)[CH](NC[C]3(C)O)C=O | | InChi: | InChI=1S/C32H52F2N8O8/c1-5-6-12-22(39-28(46)24-14-31(33,34)18-42(24)29(47)19(2)38-26(44)15-37-41-35)27(45)40-25(13-21-10-8-7-9-11-21)32(49)30(4,48)17-36-23(16-43)20(3)50-32/h16,19-25,35-36,48-49H,5-15,17-18H2,1-4H3,(H2-,38,39,40,44,45,46)/p+1/t19-,20+,22-,23+,24-,25-,30+,32-/m0/s1 | | Synonyms: | epoxyketone inhibitor LU-001i | | Definition date: | 2024-06-27 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | azanylidene-[2-[[(2~{S})-1-[(2~{S})-2-[[(2~{S})-1-[[(1~{S})-2-cyclohexyl-1-[(2~{R},3~{S},6~{R},7~{S})-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-1-oxidanylidene-hexan-2-yl]carbamoyl]-4,4-bis(fluoranyl)pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]imino-azanium |
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 | | A1IG7 | | Name: | (5~{S})-5-methylpyrrolidin-2-one | | Formula: | C5 H9 N O | | SMILES: | C[CH]1CCC(=O)N1 | | InChi: | InChI=1S/C5H9NO/c1-4-2-3-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1 | | Definition date: | 2024-07-03 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-10 | | Identifier: | (5~{S})-5-methylpyrrolidin-2-one |
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